6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene

C10H5Cl2F3S — CID 54252533

IUPAC6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)cc(Cl)c2S1
InChIInChI=1S/C10H5Cl2F3S/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H
InChIKeyQXTUUMAYIDCEAY-UHFFFAOYSA-N
MW285.12 g/mol
LogP5.04
Rot. Bonds

About 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene

6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene (PubChem CID 54252533) has the molecular formula C10H5Cl2F3S and a molecular weight of 285.12 g/mol. Its IUPAC name is 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene.

Molecular Properties

Compound Name6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene
PubChem CID54252533
Molecular FormulaC10H5Cl2F3S
Molecular Weight285.12 g/mol
Exact Mass283.94
IUPAC Name6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)cc(Cl)c2S1
InChIInChI=1S/C10H5Cl2F3S/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H
InChIKeyQXTUUMAYIDCEAY-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.12
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene
CID 54146525
(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 54411003
(2R)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carbaldehyde
CID 141318734
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
CID 139923507
6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 20601613
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
CID 141098189
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole
CID 141004224
3,5-dichloro-2-(trifluoromethyl)benzenethiol
CID 151186428
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene?
The IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene (CID 54252533) is 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene.
What is the SMILES notation for 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene?
The canonical SMILES for 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene is FC(F)(F)C1C=Cc2cc(Cl)cc(Cl)c2S1.
What is the InChIKey of 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene?
The InChIKey is QXTUUMAYIDCEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3S/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H.
What are the key properties of 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene?
6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene has a molecular weight of 285.12 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene is sourced from PubChem (CID 54252533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).