N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide

C11H16F3NO — CID 115522404

IUPACN-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)2-1-3-15-10(16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,15,16)
InChIKeyLCZOIKNHISSWGI-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.49
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 115522404) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID115522404
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CC2CC2C1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)2-1-3-15-10(16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,15,16)
InChIKeyLCZOIKNHISSWGI-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.49
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-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106843014
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 115522404) is N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCCCC(F)(F)F)C1CC2CC2C1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is LCZOIKNHISSWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)2-1-3-15-10(16)9-5-7-4-8(7)6-9/h7-9H,1-6H2,(H,15,16).
What are the key properties of N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 115522404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).