6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene

C14H14ClF3OS — CID 141097972

IUPAC6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene
SMILESCCSc1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3OS/c1-3-13(14(16,17)18)6-5-9-7-10(15)12(20-4-2)8-11(9)19-13/h5-8H,3-4H2,1-2H3
InChIKeyAARMHWKTVHHUNF-UHFFFAOYSA-N
MW322.78 g/mol
LogP5.57
Rot. Bonds3

About 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene

6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene (PubChem CID 141097972) has the molecular formula C14H14ClF3OS and a molecular weight of 322.78 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene
PubChem CID141097972
Molecular FormulaC14H14ClF3OS
Molecular Weight322.78 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene
SMILESCCSc1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3OS/c1-3-13(14(16,17)18)6-5-9-7-10(15)12(20-4-2)8-11(9)19-13/h5-8H,3-4H2,1-2H3
InChIKeyAARMHWKTVHHUNF-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.78
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene 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

1-Chloro-2-(4-methylphenyl)sulfonyl-4-(trifluoromethoxy)benzene
CID 20259962
3-(2'-Chloro-4-trifluoromethylphenoxy)-6-chlorothioanisole
CID 20524737
4-(2-Chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633778
4-(2-Chlorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633779
2-Chloro-1-[(4-methoxyphenyl)sulfanyl]-4-(trifluoromethyl)benzene
CID 22761246
2-Chloro-4-ethyl-1-[2-[[4-(trifluoromethyl)phenoxy]methyl]prop-2-enylsulfanyl]benzene
CID 57882850
CID 58534111
CID 58534111
6-chloro-7-(2-methylpropylsulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934572
7-butan-2-ylsulfanyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934644
(2R)-6-chloro-7-(2-methylpropylsulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934673
sodium;6-chloro-7-(2-methylpropylsulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934751
sodium;7-butan-2-ylsulfanyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 69517590

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene?
The IUPAC name of 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene (CID 141097972) is 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene.
What is the SMILES notation for 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene?
The canonical SMILES for 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene is CCSc1cc2c(cc1Cl)C=CC(CC)(C(F)(F)F)O2.
What is the InChIKey of 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene?
The InChIKey is AARMHWKTVHHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3OS/c1-3-13(14(16,17)18)6-5-9-7-10(15)12(20-4-2)8-11(9)19-13/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene?
6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene has a molecular weight of 322.78 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-7-ethylsulfanyl-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).