2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene

C14H15F — CID 173366752

IUPAC2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
SMILESCC1=C(F)C(C)=C(c2ccccc2)CC1
InChIInChI=1S/C14H15F/c1-10-8-9-13(11(2)14(10)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyODGUCVIKKVKVAB-UHFFFAOYSA-N
MW202.27 g/mol
LogP4.50
Rot. Bonds1

About 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene

2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene (PubChem CID 173366752) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
PubChem CID173366752
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
SMILESCC1=C(F)C(C)=C(c2ccccc2)CC1
InChIInChI=1S/C14H15F/c1-10-8-9-13(11(2)14(10)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyODGUCVIKKVKVAB-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,4-dimethyl-2-phenylcyclohexa-1,3-diene
CID 90955588
(1Z)-1,2-diphenylcyclododecene
CID 5378897
1-iodo-4-(2-phenylcyclobuten-1-yl)benzene
CID 10616539
1-methyl-4-(2-phenylsulfanylcyclobuten-1-yl)benzene
CID 10377541
1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride
CID 54609270
(2-fluoro-4-methylcyclopenten-1-yl)benzene
CID 15529228
1-fluoro-4-methyl-2,3-dihydronaphthalene
CID 143753613
(3aR)-2-fluoro-1-methyl-3-phenyl-4,5,6,7-tetrahydro-3aH-indene
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene (CID 173366752) is 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene is CC1=C(F)C(C)=C(c2ccccc2)CC1.
What is the InChIKey of 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene?
The InChIKey is ODGUCVIKKVKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-10-8-9-13(11(2)14(10)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene?
2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene has a molecular weight of 202.27 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 173366752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).