1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine

C20H41F2N — CID 158364174

IUPAC1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine
SMILESC.CC(C)C1C(C)CCCC1(F)F.CC(C)C1CCCCC1N
InChIInChI=1S/C10H18F2.C9H19N.CH4/c1-7(2)9-8(3)5-4-6-10(9,11)12;1-7(2)8-5-3-4-6-9(8)10;/h7-9H,4-6H2,1-3H3;7-9H,3-6,10H2,1-2H3;1H4
InChIKeyGTVBFADXYZSRSS-UHFFFAOYSA-N
MW333.55 g/mol
LogP6.51
Rot. Bonds2

About 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine

1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine (PubChem CID 158364174) has the molecular formula C20H41F2N and a molecular weight of 333.55 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine
PubChem CID158364174
Molecular FormulaC20H41F2N
Molecular Weight333.55 g/mol
Exact Mass333.32
IUPAC Name1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine
SMILESC.CC(C)C1C(C)CCCC1(F)F.CC(C)C1CCCCC1N
InChIInChI=1S/C10H18F2.C9H19N.CH4/c1-7(2)9-8(3)5-4-6-10(9,11)12;1-7(2)8-5-3-4-6-9(8)10;/h7-9H,4-6H2,1-3H3;7-9H,3-6,10H2,1-2H3;1H4
InChIKeyGTVBFADXYZSRSS-UHFFFAOYSA-N
XLogP6.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine 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

trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
cis-(1R,2S)-2-methylcyclohexan-1-amine
CID 638182
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
CID 124565378
1-(2-aminocyclononyl)ethanol
CID 123398875
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
ethene;2-methylcyclohexan-1-amine
CID 142086710
(1R,2S,6R)-1-methyl-2-propan-2-ylspiro[2.3]hexan-6-amine
CID 160599403
2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
CID 130898751
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine (CID 158364174) is 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine is C.CC(C)C1C(C)CCCC1(F)F.CC(C)C1CCCCC1N.
What is the InChIKey of 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine?
The InChIKey is GTVBFADXYZSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2.C9H19N.CH4/c1-7(2)9-8(3)5-4-6-10(9,11)12;1-7(2)8-5-3-4-6-9(8)10;/h7-9H,4-6H2,1-3H3;7-9H,3-6,10H2,1-2H3;1H4.
What are the key properties of 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine?
1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine has a molecular weight of 333.55 g/mol, XLogP of 6.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 158364174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).