1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane

C45H82F8 — CID 158610289

IUPAC1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane
SMILESCC(C)CC1(C(C)(F)F)CC1.CC(C)CC1CC(C)(F)C1.CC(C)CC1CC1(F)F.CC(C)CC1CCC(C)(F)C1.CC(C)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2.C10H19F.C9H16F2.C9H17F.C7H12F2/c1-8(2)7-9-3-5-10(11,12)6-4-9;1-8(2)6-9-4-5-10(3,11)7-9;1-7(2)6-9(4-5-9)8(3,10)11;1-7(2)4-8-5-9(3,10)6-8;1-5(2)3-6-4-7(6,8)9/h8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyHWTGEOVQUOEZPN-UHFFFAOYSA-N
MW775.13 g/mol
LogP16.75
Rot. Bonds11

About 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane

1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane (PubChem CID 158610289) has the molecular formula C45H82F8 and a molecular weight of 775.13 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane
PubChem CID158610289
Molecular FormulaC45H82F8
Molecular Weight775.13 g/mol
Exact Mass774.63
IUPAC Name1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane
SMILESCC(C)CC1(C(C)(F)F)CC1.CC(C)CC1CC(C)(F)C1.CC(C)CC1CC1(F)F.CC(C)CC1CCC(C)(F)C1.CC(C)CC1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2.C10H19F.C9H16F2.C9H17F.C7H12F2/c1-8(2)7-9-3-5-10(11,12)6-4-9;1-8(2)6-9-4-5-10(3,11)7-9;1-7(2)6-9(4-5-9)8(3,10)11;1-7(2)4-8-5-9(3,10)6-8;1-5(2)3-6-4-7(6,8)9/h8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyHWTGEOVQUOEZPN-UHFFFAOYSA-N
XLogP16.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.13
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane with MolForge

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Related Compounds

1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
CID 121387179
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
CID 177148483
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
2,2-difluoro-4-methylpentane;methane;1-methyl-1-(2-methylpropyl)cyclohexane;2-methylpropylcyclohexane;2-methylpropylcyclopropane;2,2,4-trimethylpentane
CID 159961447
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 134374502
1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;methane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
CID 159223013

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane?
The IUPAC name of 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane (CID 158610289) is 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane?
The canonical SMILES for 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane is CC(C)CC1(C(C)(F)F)CC1.CC(C)CC1CC(C)(F)C1.CC(C)CC1CC1(F)F.CC(C)CC1CCC(C)(F)C1.CC(C)CC1CCC(F)(F)CC1.
What is the InChIKey of 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane?
The InChIKey is HWTGEOVQUOEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2.C10H19F.C9H16F2.C9H17F.C7H12F2/c1-8(2)7-9-3-5-10(11,12)6-4-9;1-8(2)6-9-4-5-10(3,11)7-9;1-7(2)6-9(4-5-9)8(3,10)11;1-7(2)4-8-5-9(3,10)6-8;1-5(2)3-6-4-7(6,8)9/h8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane?
1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane has a molecular weight of 775.13 g/mol, XLogP of 16.75, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane is sourced from PubChem (CID 158610289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).