6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene

C13H12ClF3OS — CID 141097907

IUPAC6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)cc(SC)c2O1
InChIInChI=1S/C13H12ClF3OS/c1-3-12(13(15,16)17)5-4-8-6-9(14)7-10(19-2)11(8)18-12/h4-7H,3H2,1-2H3
InChIKeyIFGUJMSZZILSDV-UHFFFAOYSA-N
MW308.75 g/mol
LogP5.18
Rot. Bonds2

About 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene

6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene (PubChem CID 141097907) has the molecular formula C13H12ClF3OS and a molecular weight of 308.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene
PubChem CID141097907
Molecular FormulaC13H12ClF3OS
Molecular Weight308.75 g/mol
Exact Mass308.02
IUPAC Name6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)cc(SC)c2O1
InChIInChI=1S/C13H12ClF3OS/c1-3-12(13(15,16)17)5-4-8-6-9(14)7-10(19-2)11(8)18-12/h4-7H,3H2,1-2H3
InChIKeyIFGUJMSZZILSDV-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.75
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-chloro-8-(methylthio)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 69517271
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CID 70431755
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CID 140800518
6-Chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene
CID 141097972
6-Chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
CID 141098005
6-chloro-7-fluoro-3,4-dihydro-2H-chromene-8-thiol
CID 177336481
7-butan-2-ylsulfanyl-6-chloro-2-(trifluoromethyl)-2H-chromene
CID 153884503
1-(3-Chloropropyl)-2-ethoxy-3-(trifluoromethylthio)benzene
CID 166640947
5-Chloro-1-(chloromethyl)-2-(difluoromethoxy)-3-methylsulfonylbenzene
CID 172416141
1-(Bromomethyl)-5-chloro-2-(difluoromethoxy)-3-methylsulfonylbenzene
CID 172416223
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CID 12930963
5-Chloro-2-methoxy-3-methylbenzenethiol
CID 83530562

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene?
The IUPAC name of 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene (CID 141097907) is 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene.
What is the SMILES notation for 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene?
The canonical SMILES for 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene is CCC1(C(F)(F)F)C=Cc2cc(Cl)cc(SC)c2O1.
What is the InChIKey of 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene?
The InChIKey is IFGUJMSZZILSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3OS/c1-3-12(13(15,16)17)5-4-8-6-9(14)7-10(19-2)11(8)18-12/h4-7H,3H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene?
6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene has a molecular weight of 308.75 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).