2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride

C16H12ClF3O3 — CID 23325091

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)Cl
InChIInChI=1S/C16H12ClF3O3/c1-10(15(17)21)22-11-6-8-12(9-7-11)23-14-5-3-2-4-13(14)16(18,19)20/h2-10H,1H3
InChIKeyFQFHACNYTWJRJN-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.03
Rot. Bonds5

About 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride

2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride (PubChem CID 23325091) has the molecular formula C16H12ClF3O3 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
PubChem CID23325091
Molecular FormulaC16H12ClF3O3
Molecular Weight344.72 g/mol
Exact Mass344.04
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)Cl
InChIInChI=1S/C16H12ClF3O3/c1-10(15(17)21)22-11-6-8-12(9-7-11)23-14-5-3-2-4-13(14)16(18,19)20/h2-10H,1H3
InChIKeyFQFHACNYTWJRJN-UHFFFAOYSA-N
XLogP5.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride
CID 139638459
azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 171926213
1-chloroethyl [2-(trifluoromethyl)phenyl] carbonate
CID 86731840
tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
CID 87300130
2-[5-[2,3,6-trifluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-yl]oxypropanoyl chloride
CID 88525789
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
CID 54189653
1-[2-(trifluoromethyl)phenoxy]ethyl acetate
CID 69255536
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
2-(4-chloro-2-phenoxyphenoxy)propanoyl chloride
CID 154426140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride (CID 23325091) is 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride is CC(Oc1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)Cl.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The InChIKey is FQFHACNYTWJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O3/c1-10(15(17)21)22-11-6-8-12(9-7-11)23-14-5-3-2-4-13(14)16(18,19)20/h2-10H,1H3.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride has a molecular weight of 344.72 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride is sourced from PubChem (CID 23325091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).