1-(trifluoromethyl)cyclopropane-1-carboxamide

C5H6F3NO — CID 57475858

IUPAC1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H2,9,10)
InChIKeyIRUVVVCBXQYUCN-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.81
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-carboxamide

1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 57475858) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID57475858
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H6F3NO/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H2,9,10)
InChIKeyIRUVVVCBXQYUCN-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 57475858) is 1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-carboxamide is NC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is IRUVVVCBXQYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H2,9,10).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-carboxamide?
1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 153.10 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 57475858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).