(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate

C10H5F4O2- — CID 7019569

IUPAC(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H6F4O2/c11-7-2-3-8(10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/p-1/b4-1+
InChIKeyLGTHHQOWFLXKQU-DAFODLJHSA-M
MW233.14 g/mol
LogP1.61
Rot. Bonds2

About (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate

(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 7019569) has the molecular formula C10H5F4O2- and a molecular weight of 233.14 g/mol. Its IUPAC name is (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID7019569
Molecular FormulaC10H5F4O2-
Molecular Weight233.14 g/mol
Exact Mass233.02
IUPAC Name(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H6F4O2/c11-7-2-3-8(10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/p-1/b4-1+
InChIKeyLGTHHQOWFLXKQU-DAFODLJHSA-M
XLogP1.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 75177398
4-[5-fluoro-2-(trifluoromethyl)phenyl]but-3-enal
CID 170482343
2-[5-fluoro-2-(trifluoromethyl)phenyl]propanedioate
CID 154452747
(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 8832351
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 170873034
S-[4-[5-fluoro-2-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480610
ethyl 4-[5-fluoro-2-(trifluoromethyl)phenyl]but-3-enoate
CID 170796626
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
CID 142918482
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(E)-3-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313359
(E)-3-[5-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 170999485
disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate (CID 7019569) is (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate is O=C([O-])/C=C/c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is LGTHHQOWFLXKQU-DAFODLJHSA-M. The full InChI is InChI=1S/C10H6F4O2/c11-7-2-3-8(10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/p-1/b4-1+.
What are the key properties of (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate?
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 233.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 7019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).