6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane

C12H10Cl2F2O3 — CID 142190519

IUPAC6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
SMILESCCF.O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1F
InChIInChI=1S/C10H5Cl2FO3.C2H5F/c11-5-1-4-2-6(10(14)15)9(13)16-8(4)7(12)3-5;1-2-3/h1-3,9H,(H,14,15);2H2,1H3
InChIKeyZZZPNIGFRAGILF-UHFFFAOYSA-N
MW311.11 g/mol
LogP4.13
Rot. Bonds1

About 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane

6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane (PubChem CID 142190519) has the molecular formula C12H10Cl2F2O3 and a molecular weight of 311.11 g/mol. Its IUPAC name is 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane.

Molecular Properties

Compound Name6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
PubChem CID142190519
Molecular FormulaC12H10Cl2F2O3
Molecular Weight311.11 g/mol
Exact Mass310.00
IUPAC Name6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
SMILESCCF.O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1F
InChIInChI=1S/C10H5Cl2FO3.C2H5F/c11-5-1-4-2-6(10(14)15)9(13)16-8(4)7(12)3-5;1-2-3/h1-3,9H,(H,14,15);2H2,1H3
InChIKeyZZZPNIGFRAGILF-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-2-(1,2-difluoroethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142848529
8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142913088
6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 20601613
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
6-chloro-2-(1,1-difluoroethyl)-8-fluoro-2H-chromene-3-carboxylic acid
CID 142820888
7-tert-butyl-6-chloro-2-fluoro-2H-chromene-3-carboxylic acid;molecular fluorine
CID 143004415
aminooxymethyl 6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 144889799
(2R)-6-chloro-8-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934510
5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 142920475
1,3-dihydroperoxypropan-2-yl (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 162618930
(2S)-6-chloro-8-ethenyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54232845

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane?
The IUPAC name of 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane (CID 142190519) is 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane.
What is the SMILES notation for 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane?
The canonical SMILES for 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane is CCF.O=C(O)C1=Cc2cc(Cl)cc(Cl)c2OC1F.
What is the InChIKey of 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane?
The InChIKey is ZZZPNIGFRAGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FO3.C2H5F/c11-5-1-4-2-6(10(14)15)9(13)16-8(4)7(12)3-5;1-2-3/h1-3,9H,(H,14,15);2H2,1H3.
What are the key properties of 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane?
6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane has a molecular weight of 311.11 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane is sourced from PubChem (CID 142190519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).