3,3,3-trifluoropropan-1-amine;hydrofluoride

C3H7F4N — CID 22571478

IUPAC3,3,3-trifluoropropan-1-amine;hydrofluoride
SMILESF.NCCC(F)(F)F
InChIInChI=1S/C3H6F3N.FH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyKXBHVUPXSXAOCG-UHFFFAOYSA-N
MW133.09 g/mol
LogP1.05
Rot. Bonds1

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

3,3,3-trifluoropropan-1-amine;hydrofluoride (PubChem CID 22571478) has the molecular formula C3H7F4N and a molecular weight of 133.09 g/mol. Its IUPAC name is 3,3,3-trifluoropropan-1-amine;hydrofluoride.

Molecular Properties

Compound Name3,3,3-trifluoropropan-1-amine;hydrofluoride
PubChem CID22571478
Molecular FormulaC3H7F4N
Molecular Weight133.09 g/mol
Exact Mass133.05
IUPAC Name3,3,3-trifluoropropan-1-amine;hydrofluoride
SMILESF.NCCC(F)(F)F
InChIInChI=1S/C3H6F3N.FH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyKXBHVUPXSXAOCG-UHFFFAOYSA-N
XLogP1.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropan-1-amine;hydrofluoride?
The IUPAC name of 3,3,3-trifluoropropan-1-amine;hydrofluoride (CID 22571478) is 3,3,3-trifluoropropan-1-amine;hydrofluoride.
What is the SMILES notation for 3,3,3-trifluoropropan-1-amine;hydrofluoride?
The canonical SMILES for 3,3,3-trifluoropropan-1-amine;hydrofluoride is F.NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropan-1-amine;hydrofluoride?
The InChIKey is KXBHVUPXSXAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N.FH/c4-3(5,6)1-2-7;/h1-2,7H2;1H.
What are the key properties of 3,3,3-trifluoropropan-1-amine;hydrofluoride?
3,3,3-trifluoropropan-1-amine;hydrofluoride has a molecular weight of 133.09 g/mol, XLogP of 1.05, 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;hydrofluoride is sourced from PubChem (CID 22571478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).