(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone

C15H10BrClF2O2 — CID 86685116

IUPAC(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2Cl)c(F)c1F
InChIInChI=1S/C15H10BrClF2O2/c1-2-21-12-6-4-9(13(18)14(12)19)15(20)10-7-8(16)3-5-11(10)17/h3-7H,2H2,1H3
InChIKeyMXQKSHRDFCAVLN-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.01
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone

(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone (PubChem CID 86685116) has the molecular formula C15H10BrClF2O2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone
PubChem CID86685116
Molecular FormulaC15H10BrClF2O2
Molecular Weight375.60 g/mol
Exact Mass373.95
IUPAC Name(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2Cl)c(F)c1F
InChIInChI=1S/C15H10BrClF2O2/c1-2-21-12-6-4-9(13(18)14(12)19)15(20)10-7-8(16)3-5-11(10)17/h3-7H,2H2,1H3
InChIKeyMXQKSHRDFCAVLN-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone (CID 86685116) is (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone is CCOc1ccc(C(=O)c2cc(Br)ccc2Cl)c(F)c1F.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone?
The InChIKey is MXQKSHRDFCAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O2/c1-2-21-12-6-4-9(13(18)14(12)19)15(20)10-7-8(16)3-5-11(10)17/h3-7H,2H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone?
(5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone has a molecular weight of 375.60 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-ethoxy-2,3-difluorophenyl)methanone is sourced from PubChem (CID 86685116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).