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

C21H34F2O — CID 54228211

IUPAC6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCC2CCC(C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C21H34F2O/c1-15-3-9-18(10-4-15)19-11-6-17(7-12-19)8-14-20-13-5-16(2)21(22,23)24-20/h5,15,17-20H,3-4,6-14H2,1-2H3
InChIKeyQHIWSFSEZGULFG-UHFFFAOYSA-N
MW340.50 g/mol
LogP6.73
Rot. Bonds4

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

6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran (PubChem CID 54228211) has the molecular formula C21H34F2O and a molecular weight of 340.50 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran
PubChem CID54228211
Molecular FormulaC21H34F2O
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCC2CCC(C3CCC(C)CC3)CC2)OC1(F)F
InChIInChI=1S/C21H34F2O/c1-15-3-9-18(10-4-15)19-11-6-17(7-12-19)8-14-20-13-5-16(2)21(22,23)24-20/h5,15,17-20H,3-4,6-14H2,1-2H3
InChIKeyQHIWSFSEZGULFG-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 56.73
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-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran (CID 54228211) is 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran is CC1=CCC(CCC2CCC(C3CCC(C)CC3)CC2)OC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran?
The InChIKey is QHIWSFSEZGULFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F2O/c1-15-3-9-18(10-4-15)19-11-6-17(7-12-19)8-14-20-13-5-16(2)21(22,23)24-20/h5,15,17-20H,3-4,6-14H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran has a molecular weight of 340.50 g/mol, XLogP of 6.73, 4 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-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran is sourced from PubChem (CID 54228211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).