2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane

C17H28F2O — CID 58163429

IUPAC2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane
SMILESCC1CCC(/C=C/COC2CCC(C)C(F)C2F)CC1
InChIInChI=1S/C17H28F2O/c1-12-5-8-14(9-6-12)4-3-11-20-15-10-7-13(2)16(18)17(15)19/h3-4,12-17H,5-11H2,1-2H3/b4-3+
InChIKeyWHMLKTBSAHVZAL-ONEGZZNKSA-N
MW286.41 g/mol
LogP4.86
Rot. Bonds4

About 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane

2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane (PubChem CID 58163429) has the molecular formula C17H28F2O and a molecular weight of 286.41 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane
PubChem CID58163429
Molecular FormulaC17H28F2O
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane
SMILESCC1CCC(/C=C/COC2CCC(C)C(F)C2F)CC1
InChIInChI=1S/C17H28F2O/c1-12-5-8-14(9-6-12)4-3-11-20-15-10-7-13(2)16(18)17(15)19/h3-4,12-17H,5-11H2,1-2H3/b4-3+
InChIKeyWHMLKTBSAHVZAL-ONEGZZNKSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.86
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

3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592
1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599488
2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
5-(2,2-difluoroethenyl)-2-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]oxane
CID 20599859
5-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-2-[(E)-3-methoxyprop-1-enyl]oxane
CID 20599877
5-[2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]ethyl]-2-[(E)-prop-1-enyl]oxane
CID 20599893
5-[4-[4-(2,2-difluoroethenyl)cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599939
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599973
5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20600032
1-Ethoxy-4-[2-[4-(5-fluoropent-1-enyl)cyclohexyl]ethyl]cyclohexane
CID 54137057
1-[Difluoro-(4-methylcyclohexyl)oxymethyl]-4-[(4-methylcyclohexyl)methyl]cyclohexene
CID 59938779

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane?
The IUPAC name of 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane (CID 58163429) is 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane is CC1CCC(/C=C/COC2CCC(C)C(F)C2F)CC1.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane?
The InChIKey is WHMLKTBSAHVZAL-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H28F2O/c1-12-5-8-14(9-6-12)4-3-11-20-15-10-7-13(2)16(18)17(15)19/h3-4,12-17H,5-11H2,1-2H3/b4-3+.
What are the key properties of 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane?
2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane has a molecular weight of 286.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]cyclohexane is sourced from PubChem (CID 58163429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).