6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran

C25H38F2O — CID 54531233

IUPAC6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CCC(C4CC=C(C)C(F)(F)O4)CC3)CC2)CC1
InChIInChI=1S/C25H38F2O/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)28-24/h3,5,19-24H,4,6-16H2,1-2H3
InChIKeyYWRRHFAUTMTQOH-UHFFFAOYSA-N
MW392.57 g/mol
LogP7.67
Rot. Bonds3

About 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran

6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran (PubChem CID 54531233) has the molecular formula C25H38F2O and a molecular weight of 392.57 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran
PubChem CID54531233
Molecular FormulaC25H38F2O
Molecular Weight392.57 g/mol
Exact Mass392.29
IUPAC Name6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CCC(C4CC=C(C)C(F)(F)O4)CC3)CC2)CC1
InChIInChI=1S/C25H38F2O/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)28-24/h3,5,19-24H,4,6-16H2,1-2H3
InChIKeyYWRRHFAUTMTQOH-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran (CID 54531233) is 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran is CC1=CCC(C2CCC(C3CCC(C4CC=C(C)C(F)(F)O4)CC3)CC2)CC1.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran?
The InChIKey is YWRRHFAUTMTQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2O/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)28-24/h3,5,19-24H,4,6-16H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran has a molecular weight of 392.57 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-2,3-dihydropyran is sourced from PubChem (CID 54531233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).