1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene

C17H23F — CID 2769351

IUPAC1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
SMILESCc1cc(C2=CC(C)(C)CC(C)(C)C2)ccc1F
InChIInChI=1S/C17H23F/c1-12-8-13(6-7-15(12)18)14-9-16(2,3)11-17(4,5)10-14/h6-9H,10-11H2,1-5H3
InChIKeyDGWOCNOIHNULTH-UHFFFAOYSA-N
MW246.37 g/mol
LogP5.36
Rot. Bonds1

About 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene

1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene (PubChem CID 2769351) has the molecular formula C17H23F and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
PubChem CID2769351
Molecular FormulaC17H23F
Molecular Weight246.37 g/mol
Exact Mass246.18
IUPAC Name1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene
SMILESCc1cc(C2=CC(C)(C)CC(C)(C)C2)ccc1F
InChIInChI=1S/C17H23F/c1-12-8-13(6-7-15(12)18)14-9-16(2,3)11-17(4,5)10-14/h6-9H,10-11H2,1-5H3
InChIKeyDGWOCNOIHNULTH-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene?
The IUPAC name of 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene (CID 2769351) is 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene is Cc1cc(C2=CC(C)(C)CC(C)(C)C2)ccc1F.
What is the InChIKey of 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene?
The InChIKey is DGWOCNOIHNULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F/c1-12-8-13(6-7-15(12)18)14-9-16(2,3)11-17(4,5)10-14/h6-9H,10-11H2,1-5H3.
What are the key properties of 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene?
1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene has a molecular weight of 246.37 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)benzene is sourced from PubChem (CID 2769351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).