6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene

C10H14ClF — CID 134267849

IUPAC6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(F)=CC1(C)Cl
InChIInChI=1S/C10H14ClF/c1-7(2)9-5-4-8(12)6-10(9,3)11/h4-7,9H,1-3H3
InChIKeyLAXJDHBLFNFQGM-UHFFFAOYSA-N
MW188.67 g/mol
LogP3.68
Rot. Bonds1

About 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene

6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 134267849) has the molecular formula C10H14ClF and a molecular weight of 188.67 g/mol. Its IUPAC name is 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID134267849
Molecular FormulaC10H14ClF
Molecular Weight188.67 g/mol
Exact Mass188.08
IUPAC Name6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(F)=CC1(C)Cl
InChIInChI=1S/C10H14ClF/c1-7(2)9-5-4-8(12)6-10(9,3)11/h4-7,9H,1-3H3
InChIKeyLAXJDHBLFNFQGM-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.67
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-4,5,6-trimethyl-2-heptene
CID 85595503
2-Chloro-2-propylbenzene
CID 19378283
1,5-Dichloro-5,6-dimethylcyclohexa-1,3-diene
CID 67785401
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
(5S)-3-chloro-6-methyl-5-prop-2-enyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 68216635
2-fluoro-1,5-dimethyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 68342161
4-Chloro-5-fluoro-1,5-dimethylcyclohexa-1,3-diene
CID 68396100
1-Chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69945909
1-Chloro-5-ethyl-2-fluorocyclohexa-1,3-diene
CID 69946131
1-Chloro-3-(1,1-difluoroethyl)-6-propan-2-ylcyclohexa-1,3-diene
CID 70841603
5-Chloro-5-(1-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 78017001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene (CID 134267849) is 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1C=CC(F)=CC1(C)Cl.
What is the InChIKey of 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is LAXJDHBLFNFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF/c1-7(2)9-5-4-8(12)6-10(9,3)11/h4-7,9H,1-3H3.
What are the key properties of 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene?
6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 188.67 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 134267849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).