1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

C17H24F2O — CID 19103501

IUPAC1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3
InChIKeyBOAHGIPRRKDVQY-UHFFFAOYSA-N
MW282.37 g/mol
LogP5.44
Rot. Bonds5

About 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 19103501) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
PubChem CID19103501
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3
InChIKeyBOAHGIPRRKDVQY-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene (CID 19103501) is 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is BOAHGIPRRKDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 282.37 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19103501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).