2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride

C14H10ClF3O3S — CID 139638459

IUPAC2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)s2)cc1)C(=O)Cl
InChIInChI=1S/C14H10ClF3O3S/c1-8(13(15)19)20-9-2-4-10(5-3-9)21-12-7-6-11(22-12)14(16,17)18/h2-8H,1H3
InChIKeyGTXSLFGYTHGVOC-UHFFFAOYSA-N
MW350.75 g/mol
LogP5.09
Rot. Bonds5

About 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride

2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride (PubChem CID 139638459) has the molecular formula C14H10ClF3O3S and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride
PubChem CID139638459
Molecular FormulaC14H10ClF3O3S
Molecular Weight350.75 g/mol
Exact Mass350.00
IUPAC Name2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)s2)cc1)C(=O)Cl
InChIInChI=1S/C14H10ClF3O3S/c1-8(13(15)19)20-9-2-4-10(5-3-9)21-12-7-6-11(22-12)14(16,17)18/h2-8H,1H3
InChIKeyGTXSLFGYTHGVOC-UHFFFAOYSA-N
XLogP5.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.75
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 23325091
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
butyl 2-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 4263643
2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
CID 139638456
2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
CID 54189653
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride?
The IUPAC name of 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride (CID 139638459) is 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride is CC(Oc1ccc(Oc2ccc(C(F)(F)F)s2)cc1)C(=O)Cl.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride?
The InChIKey is GTXSLFGYTHGVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O3S/c1-8(13(15)19)20-9-2-4-10(5-3-9)21-12-7-6-11(22-12)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride?
2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride has a molecular weight of 350.75 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)thiophen-2-yl]oxyphenoxy]propanoyl chloride is sourced from PubChem (CID 139638459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).