2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane

C15H22F2O — CID 158692568

IUPAC2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
SMILESC.COC1CCC(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C14H18F2O.CH4/c1-9-3-8-12(14(16)13(9)15)10-4-6-11(17-2)7-5-10;/h3,8,10-11H,4-7H2,1-2H3;1H4
InChIKeyIGNONERXVZCRQJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.58
Rot. Bonds2

About 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane

2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane (PubChem CID 158692568) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
PubChem CID158692568
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
SMILESC.COC1CCC(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C14H18F2O.CH4/c1-9-3-8-12(14(16)13(9)15)10-4-6-11(17-2)7-5-10;/h3,8,10-11H,4-7H2,1-2H3;1H4
InChIKeyIGNONERXVZCRQJ-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
2,3-difluoro-1-(4-fluorocyclohexyl)-4-methylbenzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91273380
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
CID 158570343
CID 140869837
CID 140869837
2-(2,3-difluoro-4-methylphenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868812
1-butoxy-4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 88856310
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane?
The IUPAC name of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane (CID 158692568) is 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane.
What is the SMILES notation for 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane?
The canonical SMILES for 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane is C.COC1CCC(c2ccc(C)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane?
The InChIKey is IGNONERXVZCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O.CH4/c1-9-3-8-12(14(16)13(9)15)10-4-6-11(17-2)7-5-10;/h3,8,10-11H,4-7H2,1-2H3;1H4.
What are the key properties of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane?
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane has a molecular weight of 256.34 g/mol, XLogP of 4.58, 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-(4-methoxycyclohexyl)-4-methylbenzene;methane is sourced from PubChem (CID 158692568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).