1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene

C7H8ClF — CID 153147089

IUPAC1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
SMILESCC1=CCC(F)C(Cl)=C1
InChIInChI=1S/C7H8ClF/c1-5-2-3-7(9)6(8)4-5/h2,4,7H,3H2,1H3
InChIKeyVZTFMCLBXJOCOL-UHFFFAOYSA-N
MW146.59 g/mol
LogP2.80
Rot. Bonds

About 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene

1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene (PubChem CID 153147089) has the molecular formula C7H8ClF and a molecular weight of 146.59 g/mol. Its IUPAC name is 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
PubChem CID153147089
Molecular FormulaC7H8ClF
Molecular Weight146.59 g/mol
Exact Mass146.03
IUPAC Name1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
SMILESCC1=CCC(F)C(Cl)=C1
InChIInChI=1S/C7H8ClF/c1-5-2-3-7(9)6(8)4-5/h2,4,7H,3H2,1H3
InChIKeyVZTFMCLBXJOCOL-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.59
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methanamine
CID 134568032
3,6-dimethyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123863179
6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
CID 137427519
1-[(E)-but-2-en-2-yl]-3,6-difluorocyclohexa-1,3-diene
CID 163502254
2-chloro-5-methyl-3-(trifluoromethyl)cycloocta-1,3,5-triene
CID 162578067
1-chloro-3,7-dimethylcyclohepta-1,3,5-triene
CID 143627296
6-methyl-3a,4-dihydroisoindole-1,3-dione
CID 143194785
6-methyl-8,8a-dihydroquinoline
CID 89337032
2,6-dimethyl-2,3,3a,4-tetrahydro-1,3-benzothiazole
CID 153004103
1-fluoro-3,7-dimethylcyclohepta-1,3-diene
CID 145318175
2,2,4,4,7-pentamethyl-4a,5-dihydro-3H-thiochromene
CID 140974651
N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide
CID 70214031

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene (CID 153147089) is 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene is CC1=CCC(F)C(Cl)=C1.
What is the InChIKey of 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene?
The InChIKey is VZTFMCLBXJOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF/c1-5-2-3-7(9)6(8)4-5/h2,4,7H,3H2,1H3.
What are the key properties of 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene?
1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene has a molecular weight of 146.59 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 153147089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).