8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane

C14H15ClF2O3 — CID 142913088

IUPAC8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
SMILESCF.Cc1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(C)F)O2
InChIInChI=1S/C13H12ClFO3.CH3F/c1-6-3-8-5-9(13(16)17)11(7(2)15)18-12(8)10(14)4-6;1-2/h3-5,7,11H,1-2H3,(H,16,17);1H3
InChIKeyRKCPJGXKJPMKPK-UHFFFAOYSA-N
MW304.72 g/mol
LogP3.82
Rot. Bonds2

About 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane

8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane (PubChem CID 142913088) has the molecular formula C14H15ClF2O3 and a molecular weight of 304.72 g/mol. Its IUPAC name is 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane.

Molecular Properties

Compound Name8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
PubChem CID142913088
Molecular FormulaC14H15ClF2O3
Molecular Weight304.72 g/mol
Exact Mass304.07
IUPAC Name8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
SMILESCF.Cc1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(C)F)O2
InChIInChI=1S/C13H12ClFO3.CH3F/c1-6-3-8-5-9(13(16)17)11(7(2)15)18-12(8)10(14)4-6;1-2/h3-5,7,11H,1-2H3,(H,16,17);1H3
InChIKeyRKCPJGXKJPMKPK-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 53.82
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
fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142959151
6-chloro-2-(1-fluoroethyl)-7-phenyl-2H-chromene-3-carboxylic acid;ethane
CID 142920549
6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
CID 142190519
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
5-chloro-3-(fluoromethyl)-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 142920475
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
(2R)-6,8-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;(1S)-1-phenylethanamine
CID 86599469
8-bromo-6-methyl-2-(1,1,2-trifluoroethyl)-2H-chromene-3-carboxylic acid
CID 142976588
6-bromo-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934890
6-chloro-2-(1,1-difluoroethyl)-8-fluoro-2H-chromene-3-carboxylic acid
CID 142820888
2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid;ethane;fluoromethane
CID 142920501

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The IUPAC name of 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane (CID 142913088) is 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane.
What is the SMILES notation for 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The canonical SMILES for 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane is CF.Cc1cc(Cl)c2c(c1)C=C(C(=O)O)C(C(C)F)O2.
What is the InChIKey of 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The InChIKey is RKCPJGXKJPMKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO3.CH3F/c1-6-3-8-5-9(13(16)17)11(7(2)15)18-12(8)10(14)4-6;1-2/h3-5,7,11H,1-2H3,(H,16,17);1H3.
What are the key properties of 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane has a molecular weight of 304.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane is sourced from PubChem (CID 142913088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).