1,3-difluoropropan-1-amine

C3H7F2N — CID 57106559

IUPAC1,3-difluoropropan-1-amine
SMILESNC(F)CCF
InChIInChI=1S/C3H7F2N/c4-2-1-3(5)6/h3H,1-2,6H2
InChIKeyMSMZOWGGDMSZGN-UHFFFAOYSA-N
MW95.09 g/mol
LogP0.60
Rot. Bonds2

About 1,3-difluoropropan-1-amine

1,3-difluoropropan-1-amine (PubChem CID 57106559) has the molecular formula C3H7F2N and a molecular weight of 95.09 g/mol. Its IUPAC name is 1,3-difluoropropan-1-amine.

Molecular Properties

Compound Name1,3-difluoropropan-1-amine
PubChem CID57106559
Molecular FormulaC3H7F2N
Molecular Weight95.09 g/mol
Exact Mass95.05
IUPAC Name1,3-difluoropropan-1-amine
SMILESNC(F)CCF
InChIInChI=1S/C3H7F2N/c4-2-1-3(5)6/h3H,1-2,6H2
InChIKeyMSMZOWGGDMSZGN-UHFFFAOYSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.09
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropan-1-amine?
The IUPAC name of 1,3-difluoropropan-1-amine (CID 57106559) is 1,3-difluoropropan-1-amine.
What is the SMILES notation for 1,3-difluoropropan-1-amine?
The canonical SMILES for 1,3-difluoropropan-1-amine is NC(F)CCF.
What is the InChIKey of 1,3-difluoropropan-1-amine?
The InChIKey is MSMZOWGGDMSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2N/c4-2-1-3(5)6/h3H,1-2,6H2.
What are the key properties of 1,3-difluoropropan-1-amine?
1,3-difluoropropan-1-amine has a molecular weight of 95.09 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropan-1-amine is sourced from PubChem (CID 57106559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).