2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid

C11H8F6O3 — CID 97180329

IUPAC2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid
SMILESO=C(O)CO[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H8F6O3/c12-10(13,14)7-3-1-6(2-4-7)9(11(15,16)17)20-5-8(18)19/h1-4,9H,5H2,(H,18,19)/t9-/m1/s1
InChIKeyBEVTVZZWWLFEAF-SECBINFHSA-N
MW302.17 g/mol
LogP3.41
Rot. Bonds4

About 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid

2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid (PubChem CID 97180329) has the molecular formula C11H8F6O3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid
PubChem CID97180329
Molecular FormulaC11H8F6O3
Molecular Weight302.17 g/mol
Exact Mass302.04
IUPAC Name2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid
SMILESO=C(O)CO[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H8F6O3/c12-10(13,14)7-3-1-6(2-4-7)9(11(15,16)17)20-5-8(18)19/h1-4,9H,5H2,(H,18,19)/t9-/m1/s1
InChIKeyBEVTVZZWWLFEAF-SECBINFHSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl lactate
CID 98054
(Benzyloxy)acetic acid
CID 290301
Benzhydryloxyacetic acid
CID 597513
2-(Benzyloxy)propanoic acid
CID 245987
2-((4-Methylphenyl)methoxy)acetic acid
CID 13270780
Benzyl 2-hydroxyacetate
CID 561337
Methyl 2-(benzyloxy)propanoate
CID 561764
benzyl (2S)-2-hydroxypropanoate
CID 11052238
(S)-2-(benzyloxy)propanoic acid
CID 11298298
Benzenemethanol, alpha,4-dimethyl-, 1-acetate
CID 89214
(4-butylphenyl)methyl (2S)-2-hydroxybutanoate
CID 71453720
(4-Pentylphenyl)methyl 2-hydroxybutanoate
CID 71457226

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid?
The IUPAC name of 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid (CID 97180329) is 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid.
What is the SMILES notation for 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid?
The canonical SMILES for 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid is O=C(O)CO[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid?
The InChIKey is BEVTVZZWWLFEAF-SECBINFHSA-N. The full InChI is InChI=1S/C11H8F6O3/c12-10(13,14)7-3-1-6(2-4-7)9(11(15,16)17)20-5-8(18)19/h1-4,9H,5H2,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid?
2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid has a molecular weight of 302.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethoxy]acetic acid is sourced from PubChem (CID 97180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).