6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran

C20H32F2O2 — CID 54077461

IUPAC6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(OCC3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C20H32F2O2/c1-14-3-6-16(7-4-14)13-23-18-10-8-17(9-11-18)19-12-5-15(2)20(21,22)24-19/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyMKSGUMGLWCLSMX-UHFFFAOYSA-N
MW342.47 g/mol
LogP5.72
Rot. Bonds4

About 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran

6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran (PubChem CID 54077461) has the molecular formula C20H32F2O2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran
PubChem CID54077461
Molecular FormulaC20H32F2O2
Molecular Weight342.47 g/mol
Exact Mass342.24
IUPAC Name6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(OCC3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C20H32F2O2/c1-14-3-6-16(7-4-14)13-23-18-10-8-17(9-11-18)19-12-5-15(2)20(21,22)24-19/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyMKSGUMGLWCLSMX-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran (CID 54077461) is 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran is CC1=CCC(C2CCC(OCC3CCC(C)CC3)CC2)OC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran?
The InChIKey is MKSGUMGLWCLSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2O2/c1-14-3-6-16(7-4-14)13-23-18-10-8-17(9-11-18)19-12-5-15(2)20(21,22)24-19/h5,14,16-19H,3-4,6-13H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran has a molecular weight of 342.47 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-2-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]-2,3-dihydropyran is sourced from PubChem (CID 54077461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).