N-(2,2,2-trifluoroethyl)pentanamide

C7H12F3NO — CID 89487108

IUPACN-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-6(12)11-5-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyUGBXBZHBUMRXIO-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.86
Rot. Bonds4

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

N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 89487108) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pentanamide
PubChem CID89487108
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-4-6(12)11-5-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyUGBXBZHBUMRXIO-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.86
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)pentanamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)pentanamide (CID 89487108) is N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pentanamide is CCCCC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is UGBXBZHBUMRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-4-6(12)11-5-7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)pentanamide?
N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 183.17 g/mol, XLogP of 1.86, 4 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)pentanamide is sourced from PubChem (CID 89487108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).