3,3-difluoroprop-2-en-1-amine

C3H5F2N — CID 21111689

IUPAC3,3-difluoroprop-2-en-1-amine
SMILESNCC=C(F)F
InChIInChI=1S/C3H5F2N/c4-3(5)1-2-6/h1H,2,6H2
InChIKeyNXDISQNMKXPILO-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.73
Rot. Bonds1

About 3,3-difluoroprop-2-en-1-amine

3,3-difluoroprop-2-en-1-amine (PubChem CID 21111689) has the molecular formula C3H5F2N and a molecular weight of 93.08 g/mol. Its IUPAC name is 3,3-difluoroprop-2-en-1-amine.

Molecular Properties

Compound Name3,3-difluoroprop-2-en-1-amine
PubChem CID21111689
Molecular FormulaC3H5F2N
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name3,3-difluoroprop-2-en-1-amine
SMILESNCC=C(F)F
InChIInChI=1S/C3H5F2N/c4-3(5)1-2-6/h1H,2,6H2
InChIKeyNXDISQNMKXPILO-UHFFFAOYSA-N
XLogP0.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-en-1-amine?
The IUPAC name of 3,3-difluoroprop-2-en-1-amine (CID 21111689) is 3,3-difluoroprop-2-en-1-amine.
What is the SMILES notation for 3,3-difluoroprop-2-en-1-amine?
The canonical SMILES for 3,3-difluoroprop-2-en-1-amine is NCC=C(F)F.
What is the InChIKey of 3,3-difluoroprop-2-en-1-amine?
The InChIKey is NXDISQNMKXPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N/c4-3(5)1-2-6/h1H,2,6H2.
What are the key properties of 3,3-difluoroprop-2-en-1-amine?
3,3-difluoroprop-2-en-1-amine has a molecular weight of 93.08 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-en-1-amine is sourced from PubChem (CID 21111689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).