1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene

C15H21F — CID 177192043

IUPAC1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
SMILESCCC1CCCC(c2ccc(F)cc2C)C1
InChIInChI=1S/C15H21F/c1-3-12-5-4-6-13(10-12)15-8-7-14(16)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3
InChIKeyGJLDCOTUPHULSS-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.82
Rot. Bonds2

About 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene

1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene (PubChem CID 177192043) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
PubChem CID177192043
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene
SMILESCCC1CCCC(c2ccc(F)cc2C)C1
InChIInChI=1S/C15H21F/c1-3-12-5-4-6-13(10-12)15-8-7-14(16)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3
InChIKeyGJLDCOTUPHULSS-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene (CID 177192043) is 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene is CCC1CCCC(c2ccc(F)cc2C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene?
The InChIKey is GJLDCOTUPHULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-3-12-5-4-6-13(10-12)15-8-7-14(16)9-11(15)2/h7-9,12-13H,3-6,10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene?
1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 177192043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).