(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one

C11H9F3O — CID 23274083

IUPAC(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
SMILESCC(=O)/C=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-7H,1H3/b6-5-
InChIKeyWIFIQCQDQCBMCM-WAYWQWQTSA-N
MW214.19 g/mol
LogP3.31
Rot. Bonds2

About (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one

(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one (PubChem CID 23274083) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
PubChem CID23274083
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
SMILESCC(=O)/C=C\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3O/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-7H,1H3/b6-5-
InChIKeyWIFIQCQDQCBMCM-WAYWQWQTSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
(1E,4E)-1-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 1479406
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
methyl (2Z,4E)-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 115047717
(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
(4-acetylphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2666962
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
butyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 531643
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9480508
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one?
The IUPAC name of (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one (CID 23274083) is (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one.
What is the SMILES notation for (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one?
The canonical SMILES for (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one is CC(=O)/C=C\c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one?
The InChIKey is WIFIQCQDQCBMCM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H9F3O/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-7H,1H3/b6-5-.
What are the key properties of (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one?
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one has a molecular weight of 214.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one is sourced from PubChem (CID 23274083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).