7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one

C16H7ClF4O2 — CID 166446295

IUPAC7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one
SMILESO=c1c(C(F)(F)F)coc2cc(-c3ccc(Cl)cc3F)ccc12
InChIInChI=1S/C16H7ClF4O2/c17-9-2-4-10(13(18)6-9)8-1-3-11-14(5-8)23-7-12(15(11)22)16(19,20)21/h1-7H
InChIKeyYTOVMEKIAKHUQW-UHFFFAOYSA-N
MW342.68 g/mol
LogP5.27
Rot. Bonds1

About 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one

7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one (PubChem CID 166446295) has the molecular formula C16H7ClF4O2 and a molecular weight of 342.68 g/mol. Its IUPAC name is 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one
PubChem CID166446295
Molecular FormulaC16H7ClF4O2
Molecular Weight342.68 g/mol
Exact Mass342.01
IUPAC Name7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one
SMILESO=c1c(C(F)(F)F)coc2cc(-c3ccc(Cl)cc3F)ccc12
InChIInChI=1S/C16H7ClF4O2/c17-9-2-4-10(13(18)6-9)8-1-3-11-14(5-8)23-7-12(15(11)22)16(19,20)21/h1-7H
InChIKeyYTOVMEKIAKHUQW-UHFFFAOYSA-N
XLogP5.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83128689
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
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1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
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1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
6-(1-benzothiophen-2-yl)-3-(trifluoromethyl)chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one (CID 166446295) is 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one is O=c1c(C(F)(F)F)coc2cc(-c3ccc(Cl)cc3F)ccc12.
What is the InChIKey of 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one?
The InChIKey is YTOVMEKIAKHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF4O2/c17-9-2-4-10(13(18)6-9)8-1-3-11-14(5-8)23-7-12(15(11)22)16(19,20)21/h1-7H.
What are the key properties of 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one?
7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one has a molecular weight of 342.68 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 166446295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).