3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one

C15H10ClFOS — CID 565647

IUPAC3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFOS/c16-12-3-7-14(8-4-12)19-10-9-15(18)11-1-5-13(17)6-2-11/h1-10H
InChIKeyHQHXSVFDCKSTBU-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.97
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one

3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 565647) has the molecular formula C15H10ClFOS and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID565647
Molecular FormulaC15H10ClFOS
Molecular Weight292.76 g/mol
Exact Mass292.01
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10ClFOS/c16-12-3-7-14(8-4-12)19-10-9-15(18)11-1-5-13(17)6-2-11/h1-10H
InChIKeyHQHXSVFDCKSTBU-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.97
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

(E)-3-(3-chloro-4-fluorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 6158591
(E)-3-(4-chlorophenyl)sulfanyl-1-(4-iodophenyl)prop-2-en-1-one
CID 5379747
(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 5378306
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 625657
(E)-3-(4-chlorophenyl)sulfanyl-1-phenylprop-2-en-1-one
CID 5367104
(E)-3-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 6181983
1-(4-chlorophenyl)-3-methylsulfanylprop-2-en-1-one
CID 71412264
1-(3-bromophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one
CID 554741
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
(E)-3-(2-chloro-4-fluorophenyl)sulfanyl-1-(4-methylphenyl)prop-2-en-1-one
CID 6162153

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one (CID 565647) is 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one is O=C(C=CSc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is HQHXSVFDCKSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFOS/c16-12-3-7-14(8-4-12)19-10-9-15(18)11-1-5-13(17)6-2-11/h1-10H.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one?
3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 292.76 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 565647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).