(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one

C11H9F3O2 — CID 23274353

IUPAC(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
SMILESCOc1ccccc1/C=C\C(=O)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c1-16-9-5-3-2-4-8(9)6-7-10(15)11(12,13)14/h2-7H,1H3/b7-6-
InChIKeyBHUJHRQSOYXICE-SREVYHEPSA-N
MW230.19 g/mol
LogP2.84
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one

(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one (PubChem CID 23274353) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
PubChem CID23274353
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
SMILESCOc1ccccc1/C=C\C(=O)C(F)(F)F
InChIInChI=1S/C11H9F3O2/c1-16-9-5-3-2-4-8(9)6-7-10(15)11(12,13)14/h2-7H,1H3/b7-6-
InChIKeyBHUJHRQSOYXICE-SREVYHEPSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.84
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

tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(Z)-4-(2-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
CID 23274147
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-4-methylheptanedinitrile
CID 70615462
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one (CID 23274353) is (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one is COc1ccccc1/C=C\C(=O)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one?
The InChIKey is BHUJHRQSOYXICE-SREVYHEPSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-16-9-5-3-2-4-8(9)6-7-10(15)11(12,13)14/h2-7H,1H3/b7-6-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one has a molecular weight of 230.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one is sourced from PubChem (CID 23274353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).