5,5,5-trifluoropentan-1-amine;hydrochloride

C5H11ClF3N — CID 138039756

IUPAC5,5,5-trifluoropentan-1-amine;hydrochloride
SMILESCl.NCCCCC(F)(F)F
InChIInChI=1S/C5H10F3N.ClH/c6-5(7,8)3-1-2-4-9;/h1-4,9H2;1H
InChIKeyHQKLHHJGTMOYMJ-UHFFFAOYSA-N
MW177.60 g/mol
LogP2.10
Rot. Bonds3

About 5,5,5-trifluoropentan-1-amine;hydrochloride

5,5,5-trifluoropentan-1-amine;hydrochloride (PubChem CID 138039756) has the molecular formula C5H11ClF3N and a molecular weight of 177.60 g/mol. Its IUPAC name is 5,5,5-trifluoropentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5,5,5-trifluoropentan-1-amine;hydrochloride
PubChem CID138039756
Molecular FormulaC5H11ClF3N
Molecular Weight177.60 g/mol
Exact Mass177.05
IUPAC Name5,5,5-trifluoropentan-1-amine;hydrochloride
SMILESCl.NCCCCC(F)(F)F
InChIInChI=1S/C5H10F3N.ClH/c6-5(7,8)3-1-2-4-9;/h1-4,9H2;1H
InChIKeyHQKLHHJGTMOYMJ-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.60
LogP ≤ 52.10
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 5,5,5-trifluoropentan-1-amine;hydrochloride?
The IUPAC name of 5,5,5-trifluoropentan-1-amine;hydrochloride (CID 138039756) is 5,5,5-trifluoropentan-1-amine;hydrochloride.
What is the SMILES notation for 5,5,5-trifluoropentan-1-amine;hydrochloride?
The canonical SMILES for 5,5,5-trifluoropentan-1-amine;hydrochloride is Cl.NCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentan-1-amine;hydrochloride?
The InChIKey is HQKLHHJGTMOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N.ClH/c6-5(7,8)3-1-2-4-9;/h1-4,9H2;1H.
What are the key properties of 5,5,5-trifluoropentan-1-amine;hydrochloride?
5,5,5-trifluoropentan-1-amine;hydrochloride has a molecular weight of 177.60 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentan-1-amine;hydrochloride is sourced from PubChem (CID 138039756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).