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

C3H6ClF2N — CID 21111688

IUPAC3,3-difluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NCC=C(F)F
InChIInChI=1S/C3H5F2N.ClH/c4-3(5)1-2-6;/h1H,2,6H2;1H
InChIKeySPLYCVLPUMJLDK-UHFFFAOYSA-N
MW129.54 g/mol
LogP1.15
Rot. Bonds1

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

3,3-difluoroprop-2-en-1-amine;hydrochloride (PubChem CID 21111688) has the molecular formula C3H6ClF2N and a molecular weight of 129.54 g/mol. Its IUPAC name is 3,3-difluoroprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroprop-2-en-1-amine;hydrochloride
PubChem CID21111688
Molecular FormulaC3H6ClF2N
Molecular Weight129.54 g/mol
Exact Mass129.02
IUPAC Name3,3-difluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NCC=C(F)F
InChIInChI=1S/C3H5F2N.ClH/c4-3(5)1-2-6;/h1H,2,6H2;1H
InChIKeySPLYCVLPUMJLDK-UHFFFAOYSA-N
XLogP1.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.54
LogP ≤ 51.15
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;hydrochloride?
The IUPAC name of 3,3-difluoroprop-2-en-1-amine;hydrochloride (CID 21111688) is 3,3-difluoroprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoroprop-2-en-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoroprop-2-en-1-amine;hydrochloride is Cl.NCC=C(F)F.
What is the InChIKey of 3,3-difluoroprop-2-en-1-amine;hydrochloride?
The InChIKey is SPLYCVLPUMJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N.ClH/c4-3(5)1-2-6;/h1H,2,6H2;1H.
What are the key properties of 3,3-difluoroprop-2-en-1-amine;hydrochloride?
3,3-difluoroprop-2-en-1-amine;hydrochloride has a molecular weight of 129.54 g/mol, XLogP of 1.15, 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;hydrochloride is sourced from PubChem (CID 21111688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).