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

C19H30F2O — CID 54507333

IUPAC6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C19H30F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h5,13,15-18H,3-4,6-12H2,1-2H3
InChIKeyYGQIEEHWXBQMJG-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.95
Rot. Bonds2

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

6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran (PubChem CID 54507333) has the molecular formula C19H30F2O and a molecular weight of 312.44 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran
PubChem CID54507333
Molecular FormulaC19H30F2O
Molecular Weight312.44 g/mol
Exact Mass312.23
IUPAC Name6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C19H30F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h5,13,15-18H,3-4,6-12H2,1-2H3
InChIKeyYGQIEEHWXBQMJG-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.95
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-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran (CID 54507333) is 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran is CC1=CCC(C2CCC(C3CCC(C)CC3)CC2)OC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran?
The InChIKey is YGQIEEHWXBQMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h5,13,15-18H,3-4,6-12H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran has a molecular weight of 312.44 g/mol, XLogP of 5.95, 2 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-methylcyclohexyl)cyclohexyl]-2,3-dihydropyran is sourced from PubChem (CID 54507333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).