4,4-difluoro-2,2-dimethylcyclohexan-1-amine

C8H15F2N — CID 138987456

IUPAC4,4-difluoro-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(F)(F)CCC1N
InChIInChI=1S/C8H15F2N/c1-7(2)5-8(9,10)4-3-6(7)11/h6H,3-5,11H2,1-2H3
InChIKeyIMAPSEYJFXVMFW-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.16
Rot. Bonds

About 4,4-difluoro-2,2-dimethylcyclohexan-1-amine

4,4-difluoro-2,2-dimethylcyclohexan-1-amine (PubChem CID 138987456) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethylcyclohexan-1-amine
PubChem CID138987456
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4,4-difluoro-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CC(F)(F)CCC1N
InChIInChI=1S/C8H15F2N/c1-7(2)5-8(9,10)4-3-6(7)11/h6H,3-5,11H2,1-2H3
InChIKeyIMAPSEYJFXVMFW-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-2,2-dimethylcyclohexan-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

(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
1,4,4-trimethylcyclopentane-1,3-diamine
CID 112757488
2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
2-fluoro-2-propan-2-ylcyclopentan-1-amine
CID 174265419
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 170384462
trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 174265747
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
2,4,4-trifluorocyclohexan-1-amine
CID 131451950

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-2,2-dimethylcyclohexan-1-amine (CID 138987456) is 4,4-difluoro-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-2,2-dimethylcyclohexan-1-amine is CC1(C)CC(F)(F)CCC1N.
What is the InChIKey of 4,4-difluoro-2,2-dimethylcyclohexan-1-amine?
The InChIKey is IMAPSEYJFXVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2)5-8(9,10)4-3-6(7)11/h6H,3-5,11H2,1-2H3.
What are the key properties of 4,4-difluoro-2,2-dimethylcyclohexan-1-amine?
4,4-difluoro-2,2-dimethylcyclohexan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 138987456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).