6,6,6-trifluorohexanamide;hydrochloride

C6H11ClF3NO — CID 87881489

IUPAC6,6,6-trifluorohexanamide;hydrochloride
SMILESCl.NC(=O)CCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-2-1-3-5(10)11;/h1-4H2,(H2,10,11);1H
InChIKeyGBBRBFMANKJBEH-UHFFFAOYSA-N
MW205.61 g/mol
LogP2.02
Rot. Bonds4

About 6,6,6-trifluorohexanamide;hydrochloride

6,6,6-trifluorohexanamide;hydrochloride (PubChem CID 87881489) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 6,6,6-trifluorohexanamide;hydrochloride.

Molecular Properties

Compound Name6,6,6-trifluorohexanamide;hydrochloride
PubChem CID87881489
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name6,6,6-trifluorohexanamide;hydrochloride
SMILESCl.NC(=O)CCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-2-1-3-5(10)11;/h1-4H2,(H2,10,11);1H
InChIKeyGBBRBFMANKJBEH-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohexanamide;hydrochloride?
The IUPAC name of 6,6,6-trifluorohexanamide;hydrochloride (CID 87881489) is 6,6,6-trifluorohexanamide;hydrochloride.
What is the SMILES notation for 6,6,6-trifluorohexanamide;hydrochloride?
The canonical SMILES for 6,6,6-trifluorohexanamide;hydrochloride is Cl.NC(=O)CCCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexanamide;hydrochloride?
The InChIKey is GBBRBFMANKJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-2-1-3-5(10)11;/h1-4H2,(H2,10,11);1H.
What are the key properties of 6,6,6-trifluorohexanamide;hydrochloride?
6,6,6-trifluorohexanamide;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexanamide;hydrochloride is sourced from PubChem (CID 87881489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).