(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol

C4H4Cl2F2O — CID 173216252

IUPAC(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol
SMILESOC/C=C(\Cl)C(F)(F)Cl
InChIInChI=1S/C4H4Cl2F2O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2/b3-1-
InChIKeyMHMKVHXNJDIICD-IWQZZHSRSA-N
MW176.98 g/mol
LogP1.93
Rot. Bonds2

About (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol

(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol (PubChem CID 173216252) has the molecular formula C4H4Cl2F2O and a molecular weight of 176.98 g/mol. Its IUPAC name is (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol
PubChem CID173216252
Molecular FormulaC4H4Cl2F2O
Molecular Weight176.98 g/mol
Exact Mass175.96
IUPAC Name(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol
SMILESOC/C=C(\Cl)C(F)(F)Cl
InChIInChI=1S/C4H4Cl2F2O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2/b3-1-
InChIKeyMHMKVHXNJDIICD-IWQZZHSRSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.98
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4,4,4-trifluorobut-2-en-1-ol
CID 54370084
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CID 102450031
(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
CID 121234505
1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine
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CID 130884598
1-chloro-1,1,5,5,5-pentafluoropentan-2-one
CID 112574854
1-chloro-1,1-difluoro-4-iminobutan-2-one
CID 54378967
1,1-dichloro-1,3-difluoropropan-2-one
CID 139922174
2-[(Z)-2,3-dichloro-3,3-difluoroprop-1-enyl]-1,1-dimethylcyclopropane
CID 173412089
cis-(1S,3R)-3-(2,3-dichloro-3,3-difluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 86737384
CID 87918969
CID 87918969
(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
CID 6442893

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol?
The IUPAC name of (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol (CID 173216252) is (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol.
What is the SMILES notation for (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol?
The canonical SMILES for (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol is OC/C=C(\Cl)C(F)(F)Cl.
What is the InChIKey of (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol?
The InChIKey is MHMKVHXNJDIICD-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H4Cl2F2O/c5-3(1-2-9)4(6,7)8/h1,9H,2H2/b3-1-.
What are the key properties of (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol?
(Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol has a molecular weight of 176.98 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dichloro-4,4-difluorobut-2-en-1-ol is sourced from PubChem (CID 173216252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).