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

C8H14F3NO — CID 87415484

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyVXRVTBLBRMRZEI-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide

4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 87415484) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID87415484
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyVXRVTBLBRMRZEI-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
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2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
N-Ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 87415484) is 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)CCC(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is VXRVTBLBRMRZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
4-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 87415484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).