1-fluoro-3-(4-methylcyclohexyl)oxybenzene

C13H17FO — CID 64764366

IUPAC1-fluoro-3-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C13H17FO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-4,9-10,12H,5-8H2,1H3
InChIKeyTVEUUPARFDQTKA-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.78
Rot. Bonds2

About 1-fluoro-3-(4-methylcyclohexyl)oxybenzene

1-fluoro-3-(4-methylcyclohexyl)oxybenzene (PubChem CID 64764366) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-fluoro-3-(4-methylcyclohexyl)oxybenzene
PubChem CID64764366
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-fluoro-3-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C13H17FO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-4,9-10,12H,5-8H2,1H3
InChIKeyTVEUUPARFDQTKA-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 1-fluoro-3-(4-methylcyclohexyl)oxybenzene (CID 64764366) is 1-fluoro-3-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-fluoro-3-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 1-fluoro-3-(4-methylcyclohexyl)oxybenzene is CC1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-(4-methylcyclohexyl)oxybenzene?
The InChIKey is TVEUUPARFDQTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-4,9-10,12H,5-8H2,1H3.
What are the key properties of 1-fluoro-3-(4-methylcyclohexyl)oxybenzene?
1-fluoro-3-(4-methylcyclohexyl)oxybenzene has a molecular weight of 208.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 64764366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).