(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene

C11H8ClF3O — CID 54411003

IUPAC(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2
InChIInChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyVUDDDASWHYDFPC-VIFPVBQESA-N
MW248.63 g/mol
LogP3.98
Rot. Bonds

About (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene

(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene (PubChem CID 54411003) has the molecular formula C11H8ClF3O and a molecular weight of 248.63 g/mol. Its IUPAC name is (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
PubChem CID54411003
Molecular FormulaC11H8ClF3O
Molecular Weight248.63 g/mol
Exact Mass248.02
IUPAC Name(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2
InChIInChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyVUDDDASWHYDFPC-VIFPVBQESA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 53.98
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
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141097906
2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole
CID 141004224
7-(2-fluoro-5-methylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141098150
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
CID 91394034
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
CID 139923507
(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
CID 141098201
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
CID 141098189
6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene
CID 54252533
6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141098122
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene (CID 54411003) is (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene is Cc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2.
What is the InChIKey of (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
The InChIKey is VUDDDASWHYDFPC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H8ClF3O/c1-6-4-8(12)5-7-2-3-9(11(13,14)15)16-10(6)7/h2-5,9H,1H3/t9-/m0/s1.
What are the key properties of (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene?
(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene has a molecular weight of 248.63 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 54411003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).