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

C9H13F2NO — CID 115408807

IUPACN-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC(F)F)C1CC2CC2C1
InChIInChI=1S/C9H13F2NO/c10-8(11)4-12-9(13)7-2-5-1-6(5)3-7/h5-8H,1-4H2,(H,12,13)
InChIKeyROHFVQNOFQYESZ-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.41
Rot. Bonds3

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

N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 115408807) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID115408807
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCC(F)F)C1CC2CC2C1
InChIInChI=1S/C9H13F2NO/c10-8(11)4-12-9(13)7-2-5-1-6(5)3-7/h5-8H,1-4H2,(H,12,13)
InChIKeyROHFVQNOFQYESZ-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
N-(2,2,2-trifluoroethyl)cyclopentanecarboxamide
CID 17901261
2-cyclohexyl-N-(2-fluoroethyl)acetamide
CID 18360952
N-(3,3,3-trifluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80473946
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
4,4-difluoro-N-(prop-2-yn-1-yl)cyclohexane-1-carboxamide
CID 81933360
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
N-(2,2-difluoroethyl)cyclopentanecarboxamide
CID 89649928
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89760500
N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 105648828

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 115408807) is N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCC(F)F)C1CC2CC2C1.
What is the InChIKey of N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ROHFVQNOFQYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)4-12-9(13)7-2-5-1-6(5)3-7/h5-8H,1-4H2,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 115408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).