3-chloro-3,3-difluoroprop-1-en-2-ol

C3H3ClF2O — CID 138715829

IUPAC3-chloro-3,3-difluoroprop-1-en-2-ol
SMILESC=C(O)C(F)(F)Cl
InChIInChI=1S/C3H3ClF2O/c1-2(7)3(4,5)6/h7H,1H2
InChIKeyPDLPKHVZLHYMHC-UHFFFAOYSA-N
MW128.50 g/mol
LogP1.89
Rot. Bonds1

About 3-chloro-3,3-difluoroprop-1-en-2-ol

3-chloro-3,3-difluoroprop-1-en-2-ol (PubChem CID 138715829) has the molecular formula C3H3ClF2O and a molecular weight of 128.50 g/mol. Its IUPAC name is 3-chloro-3,3-difluoroprop-1-en-2-ol.

Molecular Properties

Compound Name3-chloro-3,3-difluoroprop-1-en-2-ol
PubChem CID138715829
Molecular FormulaC3H3ClF2O
Molecular Weight128.50 g/mol
Exact Mass127.98
IUPAC Name3-chloro-3,3-difluoroprop-1-en-2-ol
SMILESC=C(O)C(F)(F)Cl
InChIInChI=1S/C3H3ClF2O/c1-2(7)3(4,5)6/h7H,1H2
InChIKeyPDLPKHVZLHYMHC-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,3-difluoroprop-1-en-2-ol?
The IUPAC name of 3-chloro-3,3-difluoroprop-1-en-2-ol (CID 138715829) is 3-chloro-3,3-difluoroprop-1-en-2-ol.
What is the SMILES notation for 3-chloro-3,3-difluoroprop-1-en-2-ol?
The canonical SMILES for 3-chloro-3,3-difluoroprop-1-en-2-ol is C=C(O)C(F)(F)Cl.
What is the InChIKey of 3-chloro-3,3-difluoroprop-1-en-2-ol?
The InChIKey is PDLPKHVZLHYMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF2O/c1-2(7)3(4,5)6/h7H,1H2.
What are the key properties of 3-chloro-3,3-difluoroprop-1-en-2-ol?
3-chloro-3,3-difluoroprop-1-en-2-ol has a molecular weight of 128.50 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,3-difluoroprop-1-en-2-ol is sourced from PubChem (CID 138715829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).