4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene

C14H19F — CID 123739587

IUPAC4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
SMILESCc1ccc(F)cc1C1(C)CCCCC1
InChIInChI=1S/C14H19F/c1-11-6-7-12(15)10-13(11)14(2)8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQIKCGABVXUGGQU-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.36
Rot. Bonds1

About 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene

4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene (PubChem CID 123739587) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
PubChem CID123739587
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
SMILESCc1ccc(F)cc1C1(C)CCCCC1
InChIInChI=1S/C14H19F/c1-11-6-7-12(15)10-13(11)14(2)8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQIKCGABVXUGGQU-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene?
The IUPAC name of 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene (CID 123739587) is 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene.
What is the SMILES notation for 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene?
The canonical SMILES for 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene is Cc1ccc(F)cc1C1(C)CCCCC1.
What is the InChIKey of 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene?
The InChIKey is QIKCGABVXUGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-11-6-7-12(15)10-13(11)14(2)8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene?
4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene has a molecular weight of 206.30 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene is sourced from PubChem (CID 123739587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).