(Z)-1,3-difluoroprop-1-en-2-ol

C3H3F2O+ — CID 177426910

IUPAC(Z)-1,3-difluoroprop-1-en-2-ol
SMILESO/C(=C\F)[CH+]F
InChIInChI=1S/C3H2F2O/c4-1-3(6)2-5/h1-2H/p+1/b3-1-
InChIKeyGURXKFFNROIRRR-IWQZZHSRSA-O
MW93.05 g/mol
LogP1.49
Rot. Bonds1

About (Z)-1,3-difluoroprop-1-en-2-ol

(Z)-1,3-difluoroprop-1-en-2-ol (PubChem CID 177426910) has the molecular formula C3H3F2O+ and a molecular weight of 93.05 g/mol. Its IUPAC name is (Z)-1,3-difluoroprop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1,3-difluoroprop-1-en-2-ol
PubChem CID177426910
Molecular FormulaC3H3F2O+
Molecular Weight93.05 g/mol
Exact Mass93.01
IUPAC Name(Z)-1,3-difluoroprop-1-en-2-ol
SMILESO/C(=C\F)[CH+]F
InChIInChI=1S/C3H2F2O/c4-1-3(6)2-5/h1-2H/p+1/b3-1-
InChIKeyGURXKFFNROIRRR-IWQZZHSRSA-O
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.05
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-difluoroprop-1-en-2-ol?
The IUPAC name of (Z)-1,3-difluoroprop-1-en-2-ol (CID 177426910) is (Z)-1,3-difluoroprop-1-en-2-ol.
What is the SMILES notation for (Z)-1,3-difluoroprop-1-en-2-ol?
The canonical SMILES for (Z)-1,3-difluoroprop-1-en-2-ol is O/C(=C\F)[CH+]F.
What is the InChIKey of (Z)-1,3-difluoroprop-1-en-2-ol?
The InChIKey is GURXKFFNROIRRR-IWQZZHSRSA-O. The full InChI is InChI=1S/C3H2F2O/c4-1-3(6)2-5/h1-2H/p+1/b3-1-.
What are the key properties of (Z)-1,3-difluoroprop-1-en-2-ol?
(Z)-1,3-difluoroprop-1-en-2-ol has a molecular weight of 93.05 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-difluoroprop-1-en-2-ol is sourced from PubChem (CID 177426910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).