N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide

C9H14F3NO — CID 115491611

IUPACN-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-6-13-8(14)7-3-4-7/h7H,1-6H2,(H,13,14)
InChIKeyYNTOYZQJXFCOJD-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.25
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide

N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide (PubChem CID 115491611) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
PubChem CID115491611
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-6-13-8(14)7-3-4-7/h7H,1-6H2,(H,13,14)
InChIKeyYNTOYZQJXFCOJD-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.25
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-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
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
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 86833572
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide (CID 115491611) is N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide is O=C(NCCCCC(F)(F)F)C1CC1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide?
The InChIKey is YNTOYZQJXFCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-6-13-8(14)7-3-4-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide?
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide has a molecular weight of 209.21 g/mol, XLogP of 2.25, 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)cyclopropanecarboxamide is sourced from PubChem (CID 115491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).