acetic acid;[3-(trifluoromethyl)phenyl]methanol

C10H11F3O3 — CID 71340400

IUPACacetic acid;[3-(trifluoromethyl)phenyl]methanol
SMILESCC(=O)O.OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O.C2H4O2/c9-8(10,11)7-3-1-2-6(4-7)5-12;1-2(3)4/h1-4,12H,5H2;1H3,(H,3,4)
InChIKeyBIOJKQCLUBKIOW-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.29
Rot. Bonds1

About acetic acid;[3-(trifluoromethyl)phenyl]methanol

acetic acid;[3-(trifluoromethyl)phenyl]methanol (PubChem CID 71340400) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is acetic acid;[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Nameacetic acid;[3-(trifluoromethyl)phenyl]methanol
PubChem CID71340400
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Nameacetic acid;[3-(trifluoromethyl)phenyl]methanol
SMILESCC(=O)O.OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O.C2H4O2/c9-8(10,11)7-3-1-2-6(4-7)5-12;1-2(3)4/h1-4,12H,5H2;1H3,(H,3,4)
InChIKeyBIOJKQCLUBKIOW-UHFFFAOYSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 23622748
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol
CID 163883327
N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 122476023
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53225363
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998

Frequently Asked Questions

What is the IUPAC name of acetic acid;[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of acetic acid;[3-(trifluoromethyl)phenyl]methanol (CID 71340400) is acetic acid;[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for acetic acid;[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for acetic acid;[3-(trifluoromethyl)phenyl]methanol is CC(=O)O.OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of acetic acid;[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is BIOJKQCLUBKIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C2H4O2/c9-8(10,11)7-3-1-2-6(4-7)5-12;1-2(3)4/h1-4,12H,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;[3-(trifluoromethyl)phenyl]methanol?
acetic acid;[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 236.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 71340400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).