5,5,5-trifluoro-N-methylpentanamide

C6H10F3NO — CID 131202576

IUPAC5,5,5-trifluoro-N-methylpentanamide
SMILESCNC(=O)CCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-5(11)3-2-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeySCBXRAAGMDOWIY-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.47
Rot. Bonds3

About 5,5,5-trifluoro-N-methylpentanamide

5,5,5-trifluoro-N-methylpentanamide (PubChem CID 131202576) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methylpentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methylpentanamide
PubChem CID131202576
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name5,5,5-trifluoro-N-methylpentanamide
SMILESCNC(=O)CCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-5(11)3-2-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeySCBXRAAGMDOWIY-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methylpentanamide?
The IUPAC name of 5,5,5-trifluoro-N-methylpentanamide (CID 131202576) is 5,5,5-trifluoro-N-methylpentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-methylpentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-methylpentanamide is CNC(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-methylpentanamide?
The InChIKey is SCBXRAAGMDOWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-5(11)3-2-4-6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of 5,5,5-trifluoro-N-methylpentanamide?
5,5,5-trifluoro-N-methylpentanamide has a molecular weight of 169.15 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methylpentanamide is sourced from PubChem (CID 131202576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).