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

C25H41FO — CID 54404054

IUPAC6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C25H41FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h17,19-24H,3-16H2,1-2H3
InChIKeyVPKNERSBYXMEHR-UHFFFAOYSA-N
MW376.60 g/mol
LogP7.81
Rot. Bonds3

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

6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 54404054) has the molecular formula C25H41FO and a molecular weight of 376.60 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID54404054
Molecular FormulaC25H41FO
Molecular Weight376.60 g/mol
Exact Mass376.31
IUPAC Name6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=C(F)OC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C25H41FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h17,19-24H,3-16H2,1-2H3
InChIKeyVPKNERSBYXMEHR-UHFFFAOYSA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.60
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran (CID 54404054) is 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran is CC1=C(F)OC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is VPKNERSBYXMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41FO/c1-17-3-6-19(7-4-17)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-5-18(2)25(26)27-24/h17,19-24H,3-16H2,1-2H3.
What are the key properties of 6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran?
6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 376.60 g/mol, XLogP of 7.81, 3 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-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 54404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).