N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide

C6H8F3NO — CID 54132331

IUPACN-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
SMILESO=C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyFQECBLKCJBJXNY-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.07
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide

N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide (PubChem CID 54132331) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
PubChem CID54132331
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
SMILESO=C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyFQECBLKCJBJXNY-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide (CID 54132331) is N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide is O=C(NCC(F)(F)F)C1CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide?
The InChIKey is FQECBLKCJBJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11).
What are the key properties of N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide?
N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide has a molecular weight of 167.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide is sourced from PubChem (CID 54132331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).