4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride

C15H9Cl2F3O2 — CID 139892237

IUPAC4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O2/c16-12-6-5-9(14(17)21)7-13(12)22-8-10-3-1-2-4-11(10)15(18,19)20/h1-7H,8H2
InChIKeyFIWMTSPGLBOBBU-UHFFFAOYSA-N
MW349.14 g/mol
LogP5.32
Rot. Bonds4

About 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride

4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride (PubChem CID 139892237) has the molecular formula C15H9Cl2F3O2 and a molecular weight of 349.14 g/mol. Its IUPAC name is 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride.

Molecular Properties

Compound Name4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride
PubChem CID139892237
Molecular FormulaC15H9Cl2F3O2
Molecular Weight349.14 g/mol
Exact Mass347.99
IUPAC Name4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O2/c16-12-6-5-9(14(17)21)7-13(12)22-8-10-3-1-2-4-11(10)15(18,19)20/h1-7H,8H2
InChIKeyFIWMTSPGLBOBBU-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.14
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
[2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2550567
3-bromo-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683499
2-acetyl-N-[3-chloro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopentene-1-carboxamide
CID 70985267
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
methyl 4-chloro-3-(2,2,2-trifluoroethoxy)benzoate
CID 90111403
4-[(2,5-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117044
2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112828407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride?
The IUPAC name of 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride (CID 139892237) is 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride.
What is the SMILES notation for 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride?
The canonical SMILES for 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride is O=C(Cl)c1ccc(Cl)c(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride?
The InChIKey is FIWMTSPGLBOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3O2/c16-12-6-5-9(14(17)21)7-13(12)22-8-10-3-1-2-4-11(10)15(18,19)20/h1-7H,8H2.
What are the key properties of 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride?
4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride has a molecular weight of 349.14 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride is sourced from PubChem (CID 139892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).