1-chloro-1,1-difluoropent-4-en-2-ol

C5H7ClF2O — CID 112575391

IUPAC1-chloro-1,1-difluoropent-4-en-2-ol
SMILESC=CCC(O)C(F)(F)Cl
InChIInChI=1S/C5H7ClF2O/c1-2-3-4(9)5(6,7)8/h2,4,9H,1,3H2
InChIKeyIRHOGXAWJKHKHO-UHFFFAOYSA-N
MW156.56 g/mol
LogP1.75
Rot. Bonds3

About 1-chloro-1,1-difluoropent-4-en-2-ol

1-chloro-1,1-difluoropent-4-en-2-ol (PubChem CID 112575391) has the molecular formula C5H7ClF2O and a molecular weight of 156.56 g/mol. Its IUPAC name is 1-chloro-1,1-difluoropent-4-en-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoropent-4-en-2-ol
PubChem CID112575391
Molecular FormulaC5H7ClF2O
Molecular Weight156.56 g/mol
Exact Mass156.02
IUPAC Name1-chloro-1,1-difluoropent-4-en-2-ol
SMILESC=CCC(O)C(F)(F)Cl
InChIInChI=1S/C5H7ClF2O/c1-2-3-4(9)5(6,7)8/h2,4,9H,1,3H2
InChIKeyIRHOGXAWJKHKHO-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoropent-4-en-2-ol?
The IUPAC name of 1-chloro-1,1-difluoropent-4-en-2-ol (CID 112575391) is 1-chloro-1,1-difluoropent-4-en-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoropent-4-en-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoropent-4-en-2-ol is C=CCC(O)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoropent-4-en-2-ol?
The InChIKey is IRHOGXAWJKHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2O/c1-2-3-4(9)5(6,7)8/h2,4,9H,1,3H2.
What are the key properties of 1-chloro-1,1-difluoropent-4-en-2-ol?
1-chloro-1,1-difluoropent-4-en-2-ol has a molecular weight of 156.56 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoropent-4-en-2-ol is sourced from PubChem (CID 112575391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).