2-(2,2-difluorocyclohexyl)ethanamine

C8H15F2N — CID 83854840

IUPAC2-(2,2-difluorocyclohexyl)ethanamine
SMILESNCCC1CCCCC1(F)F
InChIInChI=1S/C8H15F2N/c9-8(10)5-2-1-3-7(8)4-6-11/h7H,1-6,11H2
InChIKeyXSJFAGPYVJQOFX-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.16
Rot. Bonds2

About 2-(2,2-difluorocyclohexyl)ethanamine

2-(2,2-difluorocyclohexyl)ethanamine (PubChem CID 83854840) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 2-(2,2-difluorocyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluorocyclohexyl)ethanamine
PubChem CID83854840
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name2-(2,2-difluorocyclohexyl)ethanamine
SMILESNCCC1CCCCC1(F)F
InChIInChI=1S/C8H15F2N/c9-8(10)5-2-1-3-7(8)4-6-11/h7H,1-6,11H2
InChIKeyXSJFAGPYVJQOFX-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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Related Compounds

2-Cyclohexylethylamine
CID 20509
3-(Trifluoromethyl)cyclohexylamine (cis-and trans-mixture)
CID 16227766
4-Cyclohexylbutan-1-amine
CID 3058956
3-Cyclohexylpropylamine
CID 12666390
cis-4-(Trifluoromethyl)cyclohexylamine
CID 13714353
rac-(1R,2S)-2-(trifluoromethyl)cyclohexan-1-amine
CID 25323749
2-(Trifluoromethyl)cyclohexan-1-amine
CID 16228772
(4,4-Difluorocyclohexyl)methanamine
CID 15604494
1-Cyclohexyl-2,2,2-trifluoroethanamine
CID 17888020
1-(4,4-Difluorocyclohexyl)ethan-1-amine
CID 21016048
[4-(Trifluoromethyl)cyclohexyl]methanamine
CID 22337633
1-(4,4-Difluorocyclohexyl)methanamine hydrochloride
CID 45158931

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclohexyl)ethanamine?
The IUPAC name of 2-(2,2-difluorocyclohexyl)ethanamine (CID 83854840) is 2-(2,2-difluorocyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluorocyclohexyl)ethanamine?
The canonical SMILES for 2-(2,2-difluorocyclohexyl)ethanamine is NCCC1CCCCC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclohexyl)ethanamine?
The InChIKey is XSJFAGPYVJQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c9-8(10)5-2-1-3-7(8)4-6-11/h7H,1-6,11H2.
What are the key properties of 2-(2,2-difluorocyclohexyl)ethanamine?
2-(2,2-difluorocyclohexyl)ethanamine has a molecular weight of 163.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclohexyl)ethanamine is sourced from PubChem (CID 83854840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).