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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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).