5,5,5-trifluoro-N-(methoxymethyl)pentanamide

C7H12F3NO2 — CID 87257308

IUPAC5,5,5-trifluoro-N-(methoxymethyl)pentanamide
SMILESCOCNC(=O)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-5-11-6(12)3-2-4-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyAFJVPZCTPDGUSS-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.44
Rot. Bonds5

About 5,5,5-trifluoro-N-(methoxymethyl)pentanamide

5,5,5-trifluoro-N-(methoxymethyl)pentanamide (PubChem CID 87257308) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(methoxymethyl)pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(methoxymethyl)pentanamide
PubChem CID87257308
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name5,5,5-trifluoro-N-(methoxymethyl)pentanamide
SMILESCOCNC(=O)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-5-11-6(12)3-2-4-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyAFJVPZCTPDGUSS-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(methoxymethyl)pentanamide?
The IUPAC name of 5,5,5-trifluoro-N-(methoxymethyl)pentanamide (CID 87257308) is 5,5,5-trifluoro-N-(methoxymethyl)pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-(methoxymethyl)pentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-(methoxymethyl)pentanamide is COCNC(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(methoxymethyl)pentanamide?
The InChIKey is AFJVPZCTPDGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-13-5-11-6(12)3-2-4-7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 5,5,5-trifluoro-N-(methoxymethyl)pentanamide?
5,5,5-trifluoro-N-(methoxymethyl)pentanamide has a molecular weight of 199.17 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(methoxymethyl)pentanamide is sourced from PubChem (CID 87257308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).