N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide

C10H16F2N2O — CID 114383701

IUPACN-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16F2N2O/c11-10(12,4-13)5-14-9(15)8-2-6-1-7(6)3-8/h6-8H,1-5,13H2,(H,14,15)
InChIKeyJVHAOSVGXFOVOK-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.74
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 114383701) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID114383701
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16F2N2O/c11-10(12,4-13)5-14-9(15)8-2-6-1-7(6)3-8/h6-8H,1-5,13H2,(H,14,15)
InChIKeyJVHAOSVGXFOVOK-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
CID 51080881
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 164630344
N-(3,3,3-trifluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80473946
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89760500
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
N-(3-aminopropyl)-2,6-difluorocyclohexane-1-carboxamide
CID 140479019
N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 141383089
ethane;4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 144326122

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 114383701) is N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide is NCC(F)(F)CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JVHAOSVGXFOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12,4-13)5-14-9(15)8-2-6-1-7(6)3-8/h6-8H,1-5,13H2,(H,14,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 114383701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).