2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine

C10H19F2N — CID 84772014

IUPAC2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
SMILESCC(F)(F)C1CCC(CCN)CC1
InChIInChI=1S/C10H19F2N/c1-10(11,12)9-4-2-8(3-5-9)6-7-13/h8-9H,2-7,13H2,1H3
InChIKeyWBDHWKDLXHLRJT-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.80
Rot. Bonds3

About 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine

2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine (PubChem CID 84772014) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
PubChem CID84772014
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
SMILESCC(F)(F)C1CCC(CCN)CC1
InChIInChI=1S/C10H19F2N/c1-10(11,12)9-4-2-8(3-5-9)6-7-13/h8-9H,2-7,13H2,1H3
InChIKeyWBDHWKDLXHLRJT-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptatriacontylethanamine
CID 70967764
2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
CID 84656475
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
2-cyclopropylethanamine;sulfuric acid
CID 160536384
2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine
CID 104575648
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
CID 163989914
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
CID 105428835
4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine
CID 175630753
3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine
CID 147085500
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
CID 19790328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine (CID 84772014) is 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine is CC(F)(F)C1CCC(CCN)CC1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine?
The InChIKey is WBDHWKDLXHLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-10(11,12)9-4-2-8(3-5-9)6-7-13/h8-9H,2-7,13H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine?
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine has a molecular weight of 191.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 84772014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).