5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol

C7H8ClFO — CID 89189807

IUPAC5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1CC(F)=C(O)C=C1Cl
InChIInChI=1S/C7H8ClFO/c1-4-2-6(9)7(10)3-5(4)8/h3-4,10H,2H2,1H3
InChIKeyYGASNCZBCJVFPM-UHFFFAOYSA-N
MW162.59 g/mol
LogP2.89
Rot. Bonds

About 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol

5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol (PubChem CID 89189807) has the molecular formula C7H8ClFO and a molecular weight of 162.59 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol
PubChem CID89189807
Molecular FormulaC7H8ClFO
Molecular Weight162.59 g/mol
Exact Mass162.02
IUPAC Name5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol
SMILESCC1CC(F)=C(O)C=C1Cl
InChIInChI=1S/C7H8ClFO/c1-4-2-6(9)7(10)3-5(4)8/h3-4,10H,2H2,1H3
InChIKeyYGASNCZBCJVFPM-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

p-Chloro p-cresol
CID 68146741
5-Fluoro-4-methylcyclohexa-1,5-dien-1-ol
CID 89277391
6-Fluoro-3-methylcyclohexa-1,5-dien-1-ol
CID 124189183
5-Chloro-6-fluorocyclohexa-1,5-dien-1-ol
CID 173430748
3,4-Dimethyl-2,4-dichloro-phenol
CID 129704868
2,4-Dichloro-4-methylcyclohexa-1,5-dien-1-ol
CID 67418422
(4R)-2,3-dichloro-4-methylcyclohexa-1,5-dien-1-ol
CID 68342239
3-Chloro-3,5-dimethylcyclohexa-1,5-dien-1-ol
CID 70176277
3,5-Dichloro-3-methylcyclohexa-1,5-dien-1-ol
CID 70189238
4-Chloro-3,4-dimethylcyclohexa-1,5-dien-1-ol
CID 70189324
6-Chloro-4-methylcyclohexa-1,5-dien-1-ol
CID 89281344
(4R)-4-(chloromethyl)cyclohexa-1,5-dien-1-ol
CID 89748305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol (CID 89189807) is 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol is CC1CC(F)=C(O)C=C1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is YGASNCZBCJVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFO/c1-4-2-6(9)7(10)3-5(4)8/h3-4,10H,2H2,1H3.
What are the key properties of 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol?
5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 162.59 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89189807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).