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

C15H22F2O — CID 54054039

IUPAC6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCC2CC=C(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H22F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,5,13-14H,4,6-10H2,1-2H3
InChIKeyLUYVWIVOOKKFKP-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.84
Rot. Bonds3

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

6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran (PubChem CID 54054039) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
PubChem CID54054039
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCC2CC=C(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H22F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,5,13-14H,4,6-10H2,1-2H3
InChIKeyLUYVWIVOOKKFKP-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.84
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-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran (CID 54054039) is 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran is CC1=CCC(CCC2CC=C(C)C(F)(F)O2)CC1.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran?
The InChIKey is LUYVWIVOOKKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,5,13-14H,4,6-10H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran has a molecular weight of 256.34 g/mol, XLogP of 4.84, 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-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran is sourced from PubChem (CID 54054039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).