methanol;2-[2-(trifluoromethyl)phenyl]acetic acid

C10H11F3O3 — CID 70254547

IUPACmethanol;2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCO.O=C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2.CH4O/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14;1-2/h1-4H,5H2,(H,13,14);2H,1H3
InChIKeyGVSPYIQXPIMPDD-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.94
Rot. Bonds2

About methanol;2-[2-(trifluoromethyl)phenyl]acetic acid

methanol;2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 70254547) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is methanol;2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Namemethanol;2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID70254547
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Namemethanol;2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESCO.O=C(O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3O2.CH4O/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14;1-2/h1-4H,5H2,(H,13,14);2H,1H3
InChIKeyGVSPYIQXPIMPDD-UHFFFAOYSA-N
XLogP1.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
3-fluoro-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 175735920
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid
CID 43093007

Frequently Asked Questions

What is the IUPAC name of methanol;2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of methanol;2-[2-(trifluoromethyl)phenyl]acetic acid (CID 70254547) is methanol;2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for methanol;2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for methanol;2-[2-(trifluoromethyl)phenyl]acetic acid is CO.O=C(O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of methanol;2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is GVSPYIQXPIMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2.CH4O/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14;1-2/h1-4H,5H2,(H,13,14);2H,1H3.
What are the key properties of methanol;2-[2-(trifluoromethyl)phenyl]acetic acid?
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 236.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 70254547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).