1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene

C15H13ClF2O — CID 141265630

IUPAC1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene
SMILESCCOc1ccc(-c2ccccc2Cl)c(C(F)F)c1
InChIInChI=1S/C15H13ClF2O/c1-2-19-10-7-8-11(13(9-10)15(17)18)12-5-3-4-6-14(12)16/h3-9,15H,2H2,1H3
InChIKeyNCHURDLDGOAUOI-UHFFFAOYSA-N
MW282.72 g/mol
LogP5.34
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene

1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene (PubChem CID 141265630) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene
PubChem CID141265630
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene
SMILESCCOc1ccc(-c2ccccc2Cl)c(C(F)F)c1
InChIInChI=1S/C15H13ClF2O/c1-2-19-10-7-8-11(13(9-10)15(17)18)12-5-3-4-6-14(12)16/h3-9,15H,2H2,1H3
InChIKeyNCHURDLDGOAUOI-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.72
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene?
The IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene (CID 141265630) is 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene?
The canonical SMILES for 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene is CCOc1ccc(-c2ccccc2Cl)c(C(F)F)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene?
The InChIKey is NCHURDLDGOAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-2-19-10-7-8-11(13(9-10)15(17)18)12-5-3-4-6-14(12)16/h3-9,15H,2H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene?
1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene has a molecular weight of 282.72 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene is sourced from PubChem (CID 141265630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).