(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine

C11H17F2N — CID 130671784

IUPAC(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine
SMILESFC1(F)CCC(NC2CC[C@@H]3C[C@H]23)C1
InChIInChI=1S/C11H17F2N/c12-11(13)4-3-8(6-11)14-10-2-1-7-5-9(7)10/h7-10,14H,1-6H2/t7-,8?,9+,10?/m1/s1
InChIKeyWLZRLPKEIKPMQV-RJQCTPFPSA-N
MW201.26 g/mol
LogP2.56
Rot. Bonds2

About (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine

(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine (PubChem CID 130671784) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine
PubChem CID130671784
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine
SMILESFC1(F)CCC(NC2CC[C@@H]3C[C@H]23)C1
InChIInChI=1S/C11H17F2N/c12-11(13)4-3-8(6-11)14-10-2-1-7-5-9(7)10/h7-10,14H,1-6H2/t7-,8?,9+,10?/m1/s1
InChIKeyWLZRLPKEIKPMQV-RJQCTPFPSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethylcyclobutyl)-3,3-difluorocyclopentan-1-amine
CID 126989380
N-(3-methylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130500238
N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine
CID 130496499
N-(2,2,3,3-tetramethylcyclopropyl)bicyclo[3.1.0]hexan-2-amine
CID 130525471
4,4-difluoro-N-(2-methylcyclobutyl)cyclohexan-1-amine
CID 130677278
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
N-(2,3-dimethylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130659290
N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine
CID 130949352
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231
(1R,6S)-N-(2-cyclopropylcyclopropyl)bicyclo[4.1.0]heptan-2-amine
CID 131142277
N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130500255
N-(3,3-difluorocyclopentyl)aniline
CID 170406665

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine (CID 130671784) is (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine is FC1(F)CCC(NC2CC[C@@H]3C[C@H]23)C1.
What is the InChIKey of (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine?
The InChIKey is WLZRLPKEIKPMQV-RJQCTPFPSA-N. The full InChI is InChI=1S/C11H17F2N/c12-11(13)4-3-8(6-11)14-10-2-1-7-5-9(7)10/h7-10,14H,1-6H2/t7-,8?,9+,10?/m1/s1.
What are the key properties of (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine?
(1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine has a molecular weight of 201.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(3,3-difluorocyclopentyl)bicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 130671784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).