N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide

C12H18F3NO — CID 113328145

IUPACN-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)3-1-2-4-16-11(17)10-6-8-5-9(8)7-10/h8-10H,1-7H2,(H,16,17)
InChIKeyVULZMFIASGKLGN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.88
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 113328145) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID113328145
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C12H18F3NO/c13-12(14,15)3-1-2-4-16-11(17)10-6-8-5-9(8)7-10/h8-10H,1-7H2,(H,16,17)
InChIKeyVULZMFIASGKLGN-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-cyclopentylacetamide
CID 54786269
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
2,2,2-trifluoro-N-[3-(4-oxocyclohexyl)propyl]acetamide
CID 88547452
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
N-(2,2-difluoroethyl)cyclopentanecarboxamide
CID 89649928

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 113328145) is N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCCCCC(F)(F)F)C1CC2CC2C1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is VULZMFIASGKLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c13-12(14,15)3-1-2-4-16-11(17)10-6-8-5-9(8)7-10/h8-10H,1-7H2,(H,16,17).
What are the key properties of N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 113328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).