5,5,5-trifluoropentanamide;hydrochloride

C5H9ClF3NO — CID 87098894

IUPAC5,5,5-trifluoropentanamide;hydrochloride
SMILESCl.NC(=O)CCCC(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h1-3H2,(H2,9,10);1H
InChIKeyXIORGQIMRQZJER-UHFFFAOYSA-N
MW191.58 g/mol
LogP1.63
Rot. Bonds3

About 5,5,5-trifluoropentanamide;hydrochloride

5,5,5-trifluoropentanamide;hydrochloride (PubChem CID 87098894) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 5,5,5-trifluoropentanamide;hydrochloride.

Molecular Properties

Compound Name5,5,5-trifluoropentanamide;hydrochloride
PubChem CID87098894
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name5,5,5-trifluoropentanamide;hydrochloride
SMILESCl.NC(=O)CCCC(F)(F)F
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h1-3H2,(H2,9,10);1H
InChIKeyXIORGQIMRQZJER-UHFFFAOYSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Hexanamide, 6-fluoro-
CID 12667
4,4,5,5,5-Pentafluoropentanamide
CID 54092366
N-(trifluoromethyl)pentanamide
CID 21660037
(2S,3R)-2,3-difluorohexanamide
CID 155931762
7,7,7-Trifluoroheptanamide
CID 166439060
2,5-Difluoropentanamide
CID 21899023
N,2,2-trifluoropentanamide
CID 22216352
4,4,4-Trifluorobutanamide;hydrochloride
CID 22560768
5-Fluoropentanamide
CID 53961116
2,2-Difluoropentanamide
CID 54013226
2-Fluoropentanamide
CID 55290464
5,5,5-Trifluoropentanamide
CID 87098895

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropentanamide;hydrochloride?
The IUPAC name of 5,5,5-trifluoropentanamide;hydrochloride (CID 87098894) is 5,5,5-trifluoropentanamide;hydrochloride.
What is the SMILES notation for 5,5,5-trifluoropentanamide;hydrochloride?
The canonical SMILES for 5,5,5-trifluoropentanamide;hydrochloride is Cl.NC(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentanamide;hydrochloride?
The InChIKey is XIORGQIMRQZJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h1-3H2,(H2,9,10);1H.
What are the key properties of 5,5,5-trifluoropentanamide;hydrochloride?
5,5,5-trifluoropentanamide;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentanamide;hydrochloride is sourced from PubChem (CID 87098894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).