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

C20H30F4O2 — CID 54211034

IUPAC2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(OC(F)(F)C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C20H30F4O2/c1-13-3-8-16(9-4-13)20(23,24)25-17-10-6-15(7-11-17)18-12-5-14(2)19(21,22)26-18/h5,13,15-18H,3-4,6-12H2,1-2H3
InChIKeyPVYUMHUYNYNDOM-UHFFFAOYSA-N
MW378.45 g/mol
LogP6.31
Rot. Bonds4

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

2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran (PubChem CID 54211034) has the molecular formula C20H30F4O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran.

Molecular Properties

Compound Name2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran
PubChem CID54211034
Molecular FormulaC20H30F4O2
Molecular Weight378.45 g/mol
Exact Mass378.22
IUPAC Name2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(OC(F)(F)C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C20H30F4O2/c1-13-3-8-16(9-4-13)20(23,24)25-17-10-6-15(7-11-17)18-12-5-14(2)19(21,22)26-18/h5,13,15-18H,3-4,6-12H2,1-2H3
InChIKeyPVYUMHUYNYNDOM-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 56.31
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 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran?
The IUPAC name of 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran (CID 54211034) is 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran.
What is the SMILES notation for 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran?
The canonical SMILES for 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran is CC1=CCC(C2CCC(OC(F)(F)C3CCC(C)CC3)CC2)OC1(F)F.
What is the InChIKey of 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran?
The InChIKey is PVYUMHUYNYNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F4O2/c1-13-3-8-16(9-4-13)20(23,24)25-17-10-6-15(7-11-17)18-12-5-14(2)19(21,22)26-18/h5,13,15-18H,3-4,6-12H2,1-2H3.
What are the key properties of 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran?
2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran has a molecular weight of 378.45 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran is sourced from PubChem (CID 54211034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).