5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C14H17F — CID 89129175

IUPAC5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C)C(F)C2)CC1
InChIInChI=1S/C14H17F/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13/h3,5-6,8,14H,4,7,9H2,1-2H3
InChIKeyBKOKLSBDDLATEI-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.27
Rot. Bonds1

About 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 89129175) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID89129175
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C)C(F)C2)CC1
InChIInChI=1S/C14H17F/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13/h3,5-6,8,14H,4,7,9H2,1-2H3
InChIKeyBKOKLSBDDLATEI-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 89129175) is 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CC1=CC=C(C2=CC=C(C)C(F)C2)CC1.
What is the InChIKey of 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is BKOKLSBDDLATEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13/h3,5-6,8,14H,4,7,9H2,1-2H3.
What are the key properties of 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 204.29 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 89129175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).