N-(trifluoromethyl)cyclopropanecarboxamide

C5H6F3NO — CID 67080931

IUPACN-(trifluoromethyl)cyclopropanecarboxamide
SMILESO=C(NC(F)(F)F)C1CC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)9-4(10)3-1-2-3/h3H,1-2H2,(H,9,10)
InChIKeyBDAMSQGXPITHGL-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.03
Rot. Bonds1

About N-(trifluoromethyl)cyclopropanecarboxamide

N-(trifluoromethyl)cyclopropanecarboxamide (PubChem CID 67080931) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is N-(trifluoromethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)cyclopropanecarboxamide
PubChem CID67080931
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC NameN-(trifluoromethyl)cyclopropanecarboxamide
SMILESO=C(NC(F)(F)F)C1CC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)9-4(10)3-1-2-3/h3H,1-2H2,(H,9,10)
InChIKeyBDAMSQGXPITHGL-UHFFFAOYSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)cyclopropanecarboxamide?
The IUPAC name of N-(trifluoromethyl)cyclopropanecarboxamide (CID 67080931) is N-(trifluoromethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(trifluoromethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(trifluoromethyl)cyclopropanecarboxamide is O=C(NC(F)(F)F)C1CC1.
What is the InChIKey of N-(trifluoromethyl)cyclopropanecarboxamide?
The InChIKey is BDAMSQGXPITHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)9-4(10)3-1-2-3/h3H,1-2H2,(H,9,10).
What are the key properties of N-(trifluoromethyl)cyclopropanecarboxamide?
N-(trifluoromethyl)cyclopropanecarboxamide has a molecular weight of 153.10 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)cyclopropanecarboxamide is sourced from PubChem (CID 67080931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).