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

C10H5ClF4O — CID 54146525

IUPAC(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene
SMILESFc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2
InChIInChI=1S/C10H5ClF4O/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H/t8-/m0/s1
InChIKeyOETMYBRNKWGURZ-QMMMGPOBSA-N
MW252.59 g/mol
LogP3.82
Rot. Bonds

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

(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene (PubChem CID 54146525) has the molecular formula C10H5ClF4O and a molecular weight of 252.59 g/mol. Its IUPAC name is (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene
PubChem CID54146525
Molecular FormulaC10H5ClF4O
Molecular Weight252.59 g/mol
Exact Mass252.00
IUPAC Name(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene
SMILESFc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2
InChIInChI=1S/C10H5ClF4O/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H/t8-/m0/s1
InChIKeyOETMYBRNKWGURZ-QMMMGPOBSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.59
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 54411003
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
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
CID 139923507
6-chloro-2-(1,1-difluoroethyl)-8-fluoro-2H-chromene-3-carboxylic acid
CID 142820888
7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141097906
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
CID 91394034
6,8-dichloro-2-(trifluoromethyl)-2H-thiochromene
CID 54252533
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
CID 141098189
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141004210

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene (CID 54146525) is (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene is Fc1cc(Cl)cc2c1O[C@H](C(F)(F)F)C=C2.
What is the InChIKey of (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene?
The InChIKey is OETMYBRNKWGURZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H5ClF4O/c11-6-3-5-1-2-8(10(13,14)15)16-9(5)7(12)4-6/h1-4,8H/t8-/m0/s1.
What are the key properties of (2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene?
(2S)-6-chloro-8-fluoro-2-(trifluoromethyl)-2H-chromene has a molecular weight of 252.59 g/mol, XLogP of 3.82, 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-fluoro-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 54146525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).