(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

C15H9ClF2O — CID 96883033

IUPAC(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\c1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H9ClF2O/c16-13-2-1-3-14(18)12(13)8-9-15(19)10-4-6-11(17)7-5-10/h1-9H/b9-8-
InChIKeyIVBDQOVDKGCUHI-HJWRWDBZSA-N
MW278.69 g/mol
LogP4.51
Rot. Bonds3

About (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 96883033) has the molecular formula C15H9ClF2O and a molecular weight of 278.69 g/mol. Its IUPAC name is (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID96883033
Molecular FormulaC15H9ClF2O
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C\c1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H9ClF2O/c16-13-2-1-3-14(18)12(13)8-9-15(19)10-4-6-11(17)7-5-10/h1-9H/b9-8-
InChIKeyIVBDQOVDKGCUHI-HJWRWDBZSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-chloro-6-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 8832942
2-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9447655
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185
[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 2-methoxybenzoate
CID 3545354
(E)-3-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 8857147
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 39433513
(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19562947
(E)-3-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 121234286
(E)-1-(4-tert-butylphenyl)-3-(2,6-difluorophenyl)prop-2-en-1-one
CID 7967102
3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
4-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]benzonitrile
CID 17469018
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 96883033) is (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C\c1c(F)cccc1Cl)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is IVBDQOVDKGCUHI-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H9ClF2O/c16-13-2-1-3-14(18)12(13)8-9-15(19)10-4-6-11(17)7-5-10/h1-9H/b9-8-.
What are the key properties of (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 278.69 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-6-fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 96883033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).