(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride

C10H10ClF3O3 — CID 66764263

IUPAC(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)[C@H](OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O3.ClH/c11-10(12,13)6-16-8(9(14)15)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,14,15);1H/t8-;/m1./s1
InChIKeyFLEWNAGMLQMCGO-DDWIOCJRSA-N
MW270.63 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride

(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride (PubChem CID 66764263) has the molecular formula C10H10ClF3O3 and a molecular weight of 270.63 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
PubChem CID66764263
Molecular FormulaC10H10ClF3O3
Molecular Weight270.63 g/mol
Exact Mass270.03
IUPAC Name(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)[C@H](OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3O3.ClH/c11-10(12,13)6-16-8(9(14)15)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,14,15);1H/t8-;/m1./s1
InChIKeyFLEWNAGMLQMCGO-DDWIOCJRSA-N
XLogP2.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.63
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
CID 18700123
(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
CID 102450257
2,2,2-trifluoroethyl (2S)-2-phenylpropanoate
CID 100921742
(2S)-2-phenyl-N-pyridin-3-ylsulfonyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 99646668
2-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)acetic acid
CID 21454891
(S)-bis(2,2,2-trifluoroethoxy)phosphoryl-phenylmethanol
CID 102473558
N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 47071495
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
(2R)-2-phenyl-2-sulfinooxyacetic acid
CID 59917554
2,2,2-trifluoroethyl 3-[dimethyl(phenyl)stannyl]-3-phenylpropanoate
CID 25052880
disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride?
The IUPAC name of (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride (CID 66764263) is (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride.
What is the SMILES notation for (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride?
The canonical SMILES for (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride is Cl.O=C(O)[C@H](OCC(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride?
The InChIKey is FLEWNAGMLQMCGO-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9F3O3.ClH/c11-10(12,13)6-16-8(9(14)15)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,14,15);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride?
(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride has a molecular weight of 270.63 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride is sourced from PubChem (CID 66764263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).