3,3-difluoropropan-1-amine;hydrochloride

C3H8ClF2N — CID 50988719

IUPAC3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.NCCC(F)F
InChIInChI=1S/C3H7F2N.ClH/c4-3(5)1-2-6;/h3H,1-2,6H2;1H
InChIKeyGZIRVKYLTVWXDL-UHFFFAOYSA-N
MW131.55 g/mol
LogP1.02
Rot. Bonds2

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

3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 50988719) has the molecular formula C3H8ClF2N and a molecular weight of 131.55 g/mol. Its IUPAC name is 3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoropropan-1-amine;hydrochloride
PubChem CID50988719
Molecular FormulaC3H8ClF2N
Molecular Weight131.55 g/mol
Exact Mass131.03
IUPAC Name3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.NCCC(F)F
InChIInChI=1S/C3H7F2N.ClH/c4-3(5)1-2-6;/h3H,1-2,6H2;1H
InChIKeyGZIRVKYLTVWXDL-UHFFFAOYSA-N
XLogP1.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.55
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
3,3,3-Trifluoropropylamine
CID 10001
3-Fluoropropan-1-amine
CID 10019
2,2-Difluoroethanamine
CID 136274
4,4,4-Trifluorobutylamine
CID 136645
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
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
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoropropan-1-amine;hydrochloride (CID 50988719) is 3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoropropan-1-amine;hydrochloride is Cl.NCCC(F)F.
What is the InChIKey of 3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is GZIRVKYLTVWXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2N.ClH/c4-3(5)1-2-6;/h3H,1-2,6H2;1H.
What are the key properties of 3,3-difluoropropan-1-amine;hydrochloride?
3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 131.55 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 50988719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).