methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C11H9F3O2 — CID 5314584

IUPACmethyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5-
InChIKeyZQAIZQSBGPNEEN-WAYWQWQTSA-N
MW230.19 g/mol
LogP2.89
Rot. Bonds2

About methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (PubChem CID 5314584) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
PubChem CID5314584
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Namemethyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5-
InChIKeyZQAIZQSBGPNEEN-WAYWQWQTSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.89
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

methyl (2Z,4E)-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 115047717
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(4-acetylphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2666962
butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 531643
[2-(ethylamino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2571383
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
(E)-1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 53310694
ethyl 3-oxo-5-[3-(trifluoromethyl)phenyl]pent-4-enoate
CID 159565178
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7967736
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
methyl (E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 11010176
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CID 5314584) is methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is COC(=O)/C=C\c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The InChIKey is ZQAIZQSBGPNEEN-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5-.
What are the key properties of methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate has a molecular weight of 230.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 5314584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).