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

C15H24F2O — CID 54430411

IUPAC2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
SMILESCC1=CCC(CCC2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H24F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,12-14H,4-10H2,1-2H3
InChIKeyWHBQESINXUDFOH-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.92
Rot. Bonds3

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

2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane (PubChem CID 54430411) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
PubChem CID54430411
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
SMILESCC1=CCC(CCC2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H24F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,12-14H,4-10H2,1-2H3
InChIKeyWHBQESINXUDFOH-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
2-[4-(3,3-Difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
CID 20599571
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686
2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]butyl]oxane
CID 20599715
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599892
5-[4-(2,2-difluoroethenyl)cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 20599921
5-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]butyl]-2-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599950
5-(4,4-difluorobut-3-enyl)-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]oxane
CID 20600025
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohexyl)ethyl]-2,3-dihydropyran
CID 53860640
6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
CID 54020045
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
CID 54054039

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane?
The IUPAC name of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane (CID 54430411) is 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane.
What is the SMILES notation for 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane?
The canonical SMILES for 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane is CC1=CCC(CCC2CCC(C)C(F)(F)O2)CC1.
What is the InChIKey of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane?
The InChIKey is WHBQESINXUDFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3,12-14H,4-10H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane?
2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane has a molecular weight of 258.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane is sourced from PubChem (CID 54430411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).