3,3,3-trifluoropropan-1-amine;hydrochloride

C3H7ClF3N — CID 25210505

IUPAC3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.NCCC(F)(F)F
InChIInChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyIGOPOYHPIKTQSS-UHFFFAOYSA-N
MW149.54 g/mol
LogP1.32
Rot. Bonds1

About 3,3,3-trifluoropropan-1-amine;hydrochloride

3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 25210505) has the molecular formula C3H7ClF3N and a molecular weight of 149.54 g/mol. Its IUPAC name is 3,3,3-trifluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoropropan-1-amine;hydrochloride
PubChem CID25210505
Molecular FormulaC3H7ClF3N
Molecular Weight149.54 g/mol
Exact Mass149.02
IUPAC Name3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.NCCC(F)(F)F
InChIInChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyIGOPOYHPIKTQSS-UHFFFAOYSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.54
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3,3,3-Trifluoropropylamine
CID 10001
Ethanamine, 2-fluoro-, hydrochloride
CID 9995
2,2-Difluoroethanamine
CID 136274
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
(R)-2-Amino-1,1,1-trifluoropropane hydrochloride
CID 44593757
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
CID 187408
4,4-Difluorobutan-1-amine hydrochloride
CID 2758267
2,2-Difluoropropylamine hydrochloride
CID 2758355

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of 3,3,3-trifluoropropan-1-amine;hydrochloride (CID 25210505) is 3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for 3,3,3-trifluoropropan-1-amine;hydrochloride is Cl.NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is IGOPOYHPIKTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H.
What are the key properties of 3,3,3-trifluoropropan-1-amine;hydrochloride?
3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 149.54 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 25210505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).