N,2,5-trifluoropentanamide

C5H8F3NO — CID 87098931

IUPACN,2,5-trifluoropentanamide
SMILESO=C(NF)C(F)CCCF
InChIInChI=1S/C5H8F3NO/c6-3-1-2-4(7)5(10)9-8/h4H,1-3H2,(H,9,10)
InChIKeyXBWZSWSBEGWYEK-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.07
Rot. Bonds4

About N,2,5-trifluoropentanamide

N,2,5-trifluoropentanamide (PubChem CID 87098931) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N,2,5-trifluoropentanamide.

Molecular Properties

Compound NameN,2,5-trifluoropentanamide
PubChem CID87098931
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN,2,5-trifluoropentanamide
SMILESO=C(NF)C(F)CCCF
InChIInChI=1S/C5H8F3NO/c6-3-1-2-4(7)5(10)9-8/h4H,1-3H2,(H,9,10)
InChIKeyXBWZSWSBEGWYEK-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Hexanamide, 6-fluoro-
CID 12667
4,4,5,5,5-Pentafluoropentanamide
CID 54092366
(2S,3R)-2,3-difluorohexanamide
CID 155931762
N,2,2-trifluorohexanamide
CID 21140245
2,5-Difluoropentanamide
CID 21899023
N,2,2-trifluoropentanamide
CID 22216352
N,2,4-trifluorobutanamide
CID 23290112
5-Fluoropentanamide
CID 53961116
2,2-Difluoropentanamide
CID 54013226
N-fluoropentanamide
CID 54412478
2-Fluoropentanamide
CID 55290464
2-Fluorohexanamide
CID 55291016

Frequently Asked Questions

What is the IUPAC name of N,2,5-trifluoropentanamide?
The IUPAC name of N,2,5-trifluoropentanamide (CID 87098931) is N,2,5-trifluoropentanamide.
What is the SMILES notation for N,2,5-trifluoropentanamide?
The canonical SMILES for N,2,5-trifluoropentanamide is O=C(NF)C(F)CCCF.
What is the InChIKey of N,2,5-trifluoropentanamide?
The InChIKey is XBWZSWSBEGWYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-3-1-2-4(7)5(10)9-8/h4H,1-3H2,(H,9,10).
What are the key properties of N,2,5-trifluoropentanamide?
N,2,5-trifluoropentanamide has a molecular weight of 155.12 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trifluoropentanamide is sourced from PubChem (CID 87098931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).