2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid

C10H8ClF3O3 — CID 18700123

IUPAC2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)C(OCC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClF3O3/c11-7-3-1-2-6(4-7)8(9(15)16)17-5-10(12,13)14/h1-4,8H,5H2,(H,15,16)
InChIKeyYYZXYZQPCCLWQJ-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid

2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid (PubChem CID 18700123) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
PubChem CID18700123
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)C(OCC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H8ClF3O3/c11-7-3-1-2-6(4-7)8(9(15)16)17-5-10(12,13)14/h1-4,8H,5H2,(H,15,16)
InChIKeyYYZXYZQPCCLWQJ-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
3-(3-chlorophenyl)-2,2,3-trifluoropropanoic acid
CID 54478502
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
CID 141114689
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-(3-chlorophenyl)-2-(4-chloro-3-propan-2-ylphenoxy)acetic acid
CID 21063798
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid (CID 18700123) is 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid is O=C(O)C(OCC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid?
The InChIKey is YYZXYZQPCCLWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c11-7-3-1-2-6(4-7)8(9(15)16)17-5-10(12,13)14/h1-4,8H,5H2,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid?
2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid has a molecular weight of 268.62 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid is sourced from PubChem (CID 18700123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).