(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone

C15H10BrClF2O2 — CID 86685164

IUPAC(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClF2O2/c16-10-3-6-13(17)12(7-10)15(20)9-1-4-11(5-2-9)21-8-14(18)19/h1-7,14H,8H2
InChIKeyBRJOSBFTUMJFBU-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.98
Rot. Bonds5

About (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone

(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone (PubChem CID 86685164) has the molecular formula C15H10BrClF2O2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone
PubChem CID86685164
Molecular FormulaC15H10BrClF2O2
Molecular Weight375.60 g/mol
Exact Mass373.95
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClF2O2/c16-10-3-6-13(17)12(7-10)15(20)9-1-4-11(5-2-9)21-8-14(18)19/h1-7,14H,8H2
InChIKeyBRJOSBFTUMJFBU-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.98
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-(2,2-difluoroethoxy)phenyl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone (CID 86685164) is (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone is O=C(c1ccc(OCC(F)F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone?
The InChIKey is BRJOSBFTUMJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O2/c16-10-3-6-13(17)12(7-10)15(20)9-1-4-11(5-2-9)21-8-14(18)19/h1-7,14H,8H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone?
(5-bromo-2-chlorophenyl)-[4-(2,2-difluoroethoxy)phenyl]methanone has a molecular weight of 375.60 g/mol, XLogP of 4.98, 5 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-(2,2-difluoroethoxy)phenyl]methanone is sourced from PubChem (CID 86685164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).