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

C16H11Cl2F3O3 — CID 13237071

IUPAC2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)Cl
InChIInChI=1S/C16H11Cl2F3O3/c1-9(15(18)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(19,20)21/h2-9H,1H3
InChIKeyOZLJNBZFWYGCCG-UHFFFAOYSA-N
MW379.16 g/mol
LogP5.68
Rot. Bonds5

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

2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride (PubChem CID 13237071) has the molecular formula C16H11Cl2F3O3 and a molecular weight of 379.16 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride.

Molecular Properties

Compound Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
PubChem CID13237071
Molecular FormulaC16H11Cl2F3O3
Molecular Weight379.16 g/mol
Exact Mass378.00
IUPAC Name2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)Cl
InChIInChI=1S/C16H11Cl2F3O3/c1-9(15(18)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(19,20)21/h2-9H,1H3
InChIKeyOZLJNBZFWYGCCG-UHFFFAOYSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.16
LogP ≤ 55.68
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-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
CID 54189653
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 20536118
ethyl (Z)-4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-3-methoxypent-2-enoate
CID 13279410
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 90257110
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 87743733
[2-(3,5-dichloro-2-pyridinyl)-2-hydroxyethyl] 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 88743449
2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 23325091
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoic acid
CID 3567903

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The IUPAC name of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride (CID 13237071) is 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride.
What is the SMILES notation for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The canonical SMILES for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride is CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)Cl.
What is the InChIKey of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
The InChIKey is OZLJNBZFWYGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3O3/c1-9(15(18)22)23-11-3-5-12(6-4-11)24-14-7-2-10(8-13(14)17)16(19,20)21/h2-9H,1H3.
What are the key properties of 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride?
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride has a molecular weight of 379.16 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride is sourced from PubChem (CID 13237071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).