1,1,2-trifluoroethene;hydrate;hydrochloride

C2H4ClF3O — CID 172684110

IUPAC1,1,2-trifluoroethene;hydrate;hydrochloride
SMILESCl.FC=C(F)F.O
InChIInChI=1S/C2HF3.ClH.H2O/c3-1-2(4)5;;/h1H;1H;1H2
InChIKeySCKUOXIXXFQKHS-UHFFFAOYSA-N
MW136.50 g/mol
LogP1.29
Rot. Bonds

About 1,1,2-trifluoroethene;hydrate;hydrochloride

1,1,2-trifluoroethene;hydrate;hydrochloride (PubChem CID 172684110) has the molecular formula C2H4ClF3O and a molecular weight of 136.50 g/mol. Its IUPAC name is 1,1,2-trifluoroethene;hydrate;hydrochloride.

Molecular Properties

Compound Name1,1,2-trifluoroethene;hydrate;hydrochloride
PubChem CID172684110
Molecular FormulaC2H4ClF3O
Molecular Weight136.50 g/mol
Exact Mass135.99
IUPAC Name1,1,2-trifluoroethene;hydrate;hydrochloride
SMILESCl.FC=C(F)F.O
InChIInChI=1S/C2HF3.ClH.H2O/c3-1-2(4)5;;/h1H;1H;1H2
InChIKeySCKUOXIXXFQKHS-UHFFFAOYSA-N
XLogP1.29
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.50
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethene;hydrate;hydrochloride?
The IUPAC name of 1,1,2-trifluoroethene;hydrate;hydrochloride (CID 172684110) is 1,1,2-trifluoroethene;hydrate;hydrochloride.
What is the SMILES notation for 1,1,2-trifluoroethene;hydrate;hydrochloride?
The canonical SMILES for 1,1,2-trifluoroethene;hydrate;hydrochloride is Cl.FC=C(F)F.O.
What is the InChIKey of 1,1,2-trifluoroethene;hydrate;hydrochloride?
The InChIKey is SCKUOXIXXFQKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3.ClH.H2O/c3-1-2(4)5;;/h1H;1H;1H2.
What are the key properties of 1,1,2-trifluoroethene;hydrate;hydrochloride?
1,1,2-trifluoroethene;hydrate;hydrochloride has a molecular weight of 136.50 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethene;hydrate;hydrochloride is sourced from PubChem (CID 172684110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).