4,4,4-trifluorobutanamide;hydrochloride

C4H7ClF3NO — CID 22560768

IUPAC4,4,4-trifluorobutanamide;hydrochloride
SMILESCl.NC(=O)CCC(F)(F)F
InChIInChI=1S/C4H6F3NO.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H2,8,9);1H
InChIKeyBSVWIAWUFJYSCD-UHFFFAOYSA-N
MW177.55 g/mol
LogP1.24
Rot. Bonds2

About 4,4,4-trifluorobutanamide;hydrochloride

4,4,4-trifluorobutanamide;hydrochloride (PubChem CID 22560768) has the molecular formula C4H7ClF3NO and a molecular weight of 177.55 g/mol. Its IUPAC name is 4,4,4-trifluorobutanamide;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluorobutanamide;hydrochloride
PubChem CID22560768
Molecular FormulaC4H7ClF3NO
Molecular Weight177.55 g/mol
Exact Mass177.02
IUPAC Name4,4,4-trifluorobutanamide;hydrochloride
SMILESCl.NC(=O)CCC(F)(F)F
InChIInChI=1S/C4H6F3NO.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H2,8,9);1H
InChIKeyBSVWIAWUFJYSCD-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.55
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutanamide;hydrochloride?
The IUPAC name of 4,4,4-trifluorobutanamide;hydrochloride (CID 22560768) is 4,4,4-trifluorobutanamide;hydrochloride.
What is the SMILES notation for 4,4,4-trifluorobutanamide;hydrochloride?
The canonical SMILES for 4,4,4-trifluorobutanamide;hydrochloride is Cl.NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutanamide;hydrochloride?
The InChIKey is BSVWIAWUFJYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H2,8,9);1H.
What are the key properties of 4,4,4-trifluorobutanamide;hydrochloride?
4,4,4-trifluorobutanamide;hydrochloride has a molecular weight of 177.55 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutanamide;hydrochloride is sourced from PubChem (CID 22560768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).