2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane

C16H24F2O — CID 142351768

IUPAC2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
SMILESCC.COc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C14H18F2O.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyFZBFLKJKMAPDFN-UHFFFAOYSA-N
MW270.36 g/mol
LogP5.29
Rot. Bonds2

About 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane

2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane (PubChem CID 142351768) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
PubChem CID142351768
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
SMILESCC.COc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C14H18F2O.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyFZBFLKJKMAPDFN-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 20645953
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
CID 90128781
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
CID 141349611
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 159164555
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane?
The IUPAC name of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane (CID 142351768) is 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane is CC.COc1ccc(C2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane?
The InChIKey is FZBFLKJKMAPDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O.C2H6/c1-9-3-5-10(6-4-9)11-7-8-12(17-2)14(16)13(11)15;1-2/h7-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane?
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane has a molecular weight of 270.36 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane is sourced from PubChem (CID 142351768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).