1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane

C91H177F11N6O — CID 159760671

IUPAC1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane
SMILESC.C.C.C.CC(C)CC(C)C(F)(F)F.CC(C)CC1CCC(F)(F)C1.CC(C)CC1CCCC1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1C2CCC1CC(F)(F)C2.CC(C)N1CC(C)C2(CC2)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCC2(CC2)C1.CCCC(C)C
InChIInChI=1S/C10H17F2N.C10H19NO.C10H19N.C9H15F2N.C9H16F2.C9H17N.C9H18.C8H13F2N.C7H13F3.C6H14.4CH4/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-8(2)11-6-9(3)10(7-11)4-5-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-7(2)5-8-3-4-9(10,11)6-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)7-9-5-3-4-6-9;1-5(2)11-3-6-7(4-11)8(6,9)10;1-5(2)4-6(3)7(8,9)10;1-4-5-6(2)3;;;;/h7-9H,3-6H2,1-2H3;7-10H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;4*1H4
InChIKeyNEVKSQKUIXJNDX-UHFFFAOYSA-N
MW1580.44 g/mol
LogP27.08
Rot. Bonds14

About 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane

1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane (PubChem CID 159760671) has the molecular formula C91H177F11N6O and a molecular weight of 1580.44 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane
PubChem CID159760671
Molecular FormulaC91H177F11N6O
Molecular Weight1580.44 g/mol
Exact Mass1579.38
IUPAC Name1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane
SMILESC.C.C.C.CC(C)CC(C)C(F)(F)F.CC(C)CC1CCC(F)(F)C1.CC(C)CC1CCCC1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1C2CCC1CC(F)(F)C2.CC(C)N1CC(C)C2(CC2)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCC2(CC2)C1.CCCC(C)C
InChIInChI=1S/C10H17F2N.C10H19NO.C10H19N.C9H15F2N.C9H16F2.C9H17N.C9H18.C8H13F2N.C7H13F3.C6H14.4CH4/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-8(2)11-6-9(3)10(7-11)4-5-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-7(2)5-8-3-4-9(10,11)6-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)7-9-5-3-4-6-9;1-5(2)11-3-6-7(4-11)8(6,9)10;1-5(2)4-6(3)7(8,9)10;1-4-5-6(2)3;;;;/h7-9H,3-6H2,1-2H3;7-10H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;4*1H4
InChIKeyNEVKSQKUIXJNDX-UHFFFAOYSA-N
XLogP27.08
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.44
LogP ≤ 527.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-Difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 159670179
6,6-Difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2,2-difluoro-1-propan-2-ylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;2-methyl-1-propan-2-ylazetidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 161855438
6,6-Difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;2,2-difluoro-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;7-fluoro-5-propan-2-yl-5-azaspiro[2.4]heptane;methane;2-methyl-1-propan-2-ylazetidine;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-5-azaspiro[2.4]heptane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 164986567
5-Tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;8-tert-butyl-3,3-difluoro-8-azabicyclo[3.2.1]octane;5-tert-butyl-7-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;2,2-difluoro-1-methylazetidine;6-fluoro-6-methyl-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 165026515

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane?
The IUPAC name of 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane (CID 159760671) is 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane.
What is the SMILES notation for 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane?
The canonical SMILES for 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane is C.C.C.C.CC(C)CC(C)C(F)(F)F.CC(C)CC1CCC(F)(F)C1.CC(C)CC1CCCC1.CC(C)N1C2CCC(OC2)C1C.CC(C)N1C2CCC1CC(F)(F)C2.CC(C)N1CC(C)C2(CC2)C1.CC(C)N1CC2C(C1)C2(F)F.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCC2(CC2)C1.CCCC(C)C.
What is the InChIKey of 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane?
The InChIKey is NEVKSQKUIXJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N.C10H19NO.C10H19N.C9H15F2N.C9H16F2.C9H17N.C9H18.C8H13F2N.C7H13F3.C6H14.4CH4/c1-7(2)13-8-3-4-9(13)6-10(11,12)5-8;1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-8(2)11-6-9(3)10(7-11)4-5-10;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-7(2)5-8-3-4-9(10,11)6-8;1-8(2)10-6-5-9(7-10)3-4-9;1-8(2)7-9-5-3-4-6-9;1-5(2)11-3-6-7(4-11)8(6,9)10;1-5(2)4-6(3)7(8,9)10;1-4-5-6(2)3;;;;/h7-9H,3-6H2,1-2H3;7-10H,4-6H2,1-3H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;4*1H4.
What are the key properties of 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane?
1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane has a molecular weight of 1580.44 g/mol, XLogP of 27.08, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylpropyl)cyclopentane;6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;methane;2-methylpentane;7-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane;6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;2-methylpropylcyclopentane;5-propan-2-yl-5-azaspiro[2.4]heptane;1,1,1-trifluoro-2,4-dimethylpentane is sourced from PubChem (CID 159760671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).