(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid

C17H10F6O3 — CID 118834360

IUPAC(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10F6O3/c18-16(19,20)12-5-1-10(4-8-15(24)25)14(9-12)11-2-6-13(7-3-11)26-17(21,22)23/h1-9H,(H,24,25)/b8-4+
InChIKeyYWCKFWVZRPVFOX-XBXARRHUSA-N
MW376.25 g/mol
LogP5.37
Rot. Bonds4

About (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid

(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid (PubChem CID 118834360) has the molecular formula C17H10F6O3 and a molecular weight of 376.25 g/mol. Its IUPAC name is (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid
PubChem CID118834360
Molecular FormulaC17H10F6O3
Molecular Weight376.25 g/mol
Exact Mass376.05
IUPAC Name(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10F6O3/c18-16(19,20)12-5-1-10(4-8-15(24)25)14(9-12)11-2-6-13(7-3-11)26-17(21,22)23/h1-9H,(H,24,25)/b8-4+
InChIKeyYWCKFWVZRPVFOX-XBXARRHUSA-N
XLogP5.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
CID 91136893
(E)-3-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 118822082
(E)-3-[2-bromo-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 167530765
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654
(E)-3-[5-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 170999485
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
(E)-3-[2-[4-(2-methylbutan-2-yl)phenoxy]-4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 58008029
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118812281
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
(E)-3-[2-[4-(2,2-dimethylpropyl)phenoxy]-4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 89139566

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid (CID 118834360) is (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The InChIKey is YWCKFWVZRPVFOX-XBXARRHUSA-N. The full InChI is InChI=1S/C17H10F6O3/c18-16(19,20)12-5-1-10(4-8-15(24)25)14(9-12)11-2-6-13(7-3-11)26-17(21,22)23/h1-9H,(H,24,25)/b8-4+.
What are the key properties of (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid?
(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid has a molecular weight of 376.25 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 118834360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).