(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine

C8H13F2N — CID 144866331

IUPAC(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine
SMILESFC(F)CNC1CC2C[C@H]2C1
InChIInChI=1S/C8H13F2N/c9-8(10)4-11-7-2-5-1-6(5)3-7/h5-8,11H,1-4H2/t5-,6?,7?/m0/s1
InChIKeyJOWAIEAPMQCIGQ-VTSJMVTISA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds3

About (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine

(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 144866331) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine
PubChem CID144866331
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine
SMILESFC(F)CNC1CC2C[C@H]2C1
InChIInChI=1S/C8H13F2N/c9-8(10)4-11-7-2-5-1-6(5)3-7/h5-8,11H,1-4H2/t5-,6?,7?/m0/s1
InChIKeyJOWAIEAPMQCIGQ-VTSJMVTISA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine
CID 142584478
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
(3R)-N-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 141191346
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231
N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658931
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
CID 155893038
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine (CID 144866331) is (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine is FC(F)CNC1CC2C[C@H]2C1.
What is the InChIKey of (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is JOWAIEAPMQCIGQ-VTSJMVTISA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)4-11-7-2-5-1-6(5)3-7/h5-8,11H,1-4H2/t5-,6?,7?/m0/s1.
What are the key properties of (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine?
(5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 161.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2,2-difluoroethyl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 144866331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).