6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

C13H21FO — CID 54432588

IUPAC6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H21FO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h9,11-12H,3-8H2,1-2H3
InChIKeyWINSQONEHZSSQF-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.19
Rot. Bonds1

About 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 54432588) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID54432588
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H21FO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h9,11-12H,3-8H2,1-2H3
InChIKeyWINSQONEHZSSQF-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (CID 54432588) is 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is CC1=C(F)OC(C2CCC(C)CC2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is WINSQONEHZSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 212.31 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54432588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).