(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid

C12H7F9O3 — CID 102450257

IUPAC(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
SMILESO=C(O)[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H7F9O3/c13-10(14,15)9(11(16,17)18,12(19,20)21)24-7(8(22)23)6-4-2-1-3-5-6/h1-5,7H,(H,22,23)/t7-/m1/s1
InChIKeyQGQFYGRNQRSQHF-SSDOTTSWSA-N
MW370.17 g/mol
LogP4.25
Rot. Bonds4

About (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid

(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid (PubChem CID 102450257) has the molecular formula C12H7F9O3 and a molecular weight of 370.17 g/mol. Its IUPAC name is (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
PubChem CID102450257
Molecular FormulaC12H7F9O3
Molecular Weight370.17 g/mol
Exact Mass370.03
IUPAC Name(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
SMILESO=C(O)[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H7F9O3/c13-10(14,15)9(11(16,17)18,12(19,20)21)24-7(8(22)23)6-4-2-1-3-5-6/h1-5,7H,(H,22,23)/t7-/m1/s1
InChIKeyQGQFYGRNQRSQHF-SSDOTTSWSA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetate
CID 122393653
(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
(2R)-2-phenyl-2-sulfinooxyacetic acid
CID 59917554
2-phenyl-2-sulfamoyloxyacetic acid
CID 19108711
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)acetic acid
CID 21454891
2-phenyl-2-(1,2,2,2-tetrafluoroethoxy)acetamide
CID 68531753
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
2-[dibromo(hydroxy)methoxy]-2-phenylacetamide
CID 20847466
2-(2-benzoylphenoxy)-2-phenylacetic acid
CID 135075285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid?
The IUPAC name of (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid (CID 102450257) is (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid is O=C(O)[C@H](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid?
The InChIKey is QGQFYGRNQRSQHF-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H7F9O3/c13-10(14,15)9(11(16,17)18,12(19,20)21)24-7(8(22)23)6-4-2-1-3-5-6/h1-5,7H,(H,22,23)/t7-/m1/s1.
What are the key properties of (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid?
(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid has a molecular weight of 370.17 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid is sourced from PubChem (CID 102450257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).