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

C17H26F2O — CID 145011796

IUPAC2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
SMILESCC.Cc1ccc(OCC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H20F2O.C2H6/c1-10-3-6-12(7-4-10)9-18-13-8-5-11(2)14(16)15(13)17;1-2/h5,8,10,12H,3-4,6-7,9H2,1-2H3;1-2H3
InChIKeySKRBIJYVVSYVTO-UHFFFAOYSA-N
MW284.39 g/mol
LogP5.50
Rot. Bonds3

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

2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane (PubChem CID 145011796) has the molecular formula C17H26F2O and a molecular weight of 284.39 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
PubChem CID145011796
Molecular FormulaC17H26F2O
Molecular Weight284.39 g/mol
Exact Mass284.20
IUPAC Name2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
SMILESCC.Cc1ccc(OCC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H20F2O.C2H6/c1-10-3-6-12(7-4-10)9-18-13-8-5-11(2)14(16)15(13)17;1-2/h5,8,10,12H,3-4,6-7,9H2,1-2H3;1-2H3
InChIKeySKRBIJYVVSYVTO-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
2,3-difluoro-1-[(4-methylcyclohexyl)methoxy]-4-[(E)-prop-1-enoxy]benzene
CID 90161461
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1,2-difluoro-3-[(4-methylcyclohexyl)methoxy]benzene-6-ide;rubidium(1+)
CID 58058726
2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane
CID 145301371
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;neodymium;niobium;hexakis(sodiosodium)
CID 159283283
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen
CID 161007431
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane?
The IUPAC name of 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane (CID 145011796) is 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane is CC.Cc1ccc(OCC2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane?
The InChIKey is SKRBIJYVVSYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O.C2H6/c1-10-3-6-12(7-4-10)9-18-13-8-5-11(2)14(16)15(13)17;1-2/h5,8,10,12H,3-4,6-7,9H2,1-2H3;1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane?
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane has a molecular weight of 284.39 g/mol, XLogP of 5.50, 3 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-[(4-methylcyclohexyl)methoxy]benzene;ethane is sourced from PubChem (CID 145011796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).