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

C16H21F3O3 — CID 142959151

IUPACfluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
SMILESCCF.CF.Cc1ccc2c(c1)C=C(C(=O)O)C(C(C)F)O2
InChIInChI=1S/C13H13FO3.C2H5F.CH3F/c1-7-3-4-11-9(5-7)6-10(13(15)16)12(17-11)8(2)14;1-2-3;1-2/h3-6,8,12H,1-2H3,(H,15,16);2H2,1H3;1H3
InChIKeyCDQWIRRCHBNDAI-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.14
Rot. Bonds2

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

fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane (PubChem CID 142959151) has the molecular formula C16H21F3O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane.

Molecular Properties

Compound Namefluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
PubChem CID142959151
Molecular FormulaC16H21F3O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Namefluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
SMILESCCF.CF.Cc1ccc2c(c1)C=C(C(=O)O)C(C(C)F)O2
InChIInChI=1S/C13H13FO3.C2H5F.CH3F/c1-7-3-4-11-9(5-7)6-10(13(15)16)12(17-11)8(2)14;1-2-3;1-2/h3-6,8,12H,1-2H3,(H,15,16);2H2,1H3;1H3
InChIKeyCDQWIRRCHBNDAI-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane
CID 142913088
2-(difluoromethyl)-6-(2-phenylacetyl)-2H-chromene-3-carboxylic acid;ethane;fluoromethane
CID 142920501
6-(difluoromethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 12018480
6-(hydroxymethyl)-2-(1,1,2-trifluoroethyl)-2H-chromene-3-carboxylic acid
CID 22649685
7-tert-butyl-2-(1,2-difluoro-1-phosphanylethyl)-2H-chromene-3-carboxylic acid
CID 142174450
6,8-dichloro-2-fluoro-2H-chromene-3-carboxylic acid;fluoroethane
CID 142190519
6-ethyl-7-[(4-methylphenyl)methoxy]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934511
ethyl 6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 15458898
6-chloro-7-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11327472
6-chloro-7-propan-2-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10471276
2-(fluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-2H-chromene-3-carboxylic acid
CID 151740428
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320

Frequently Asked Questions

What is the IUPAC name of fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The IUPAC name of fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane (CID 142959151) is fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane.
What is the SMILES notation for fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The canonical SMILES for fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane is CCF.CF.Cc1ccc2c(c1)C=C(C(=O)O)C(C(C)F)O2.
What is the InChIKey of fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
The InChIKey is CDQWIRRCHBNDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3.C2H5F.CH3F/c1-7-3-4-11-9(5-7)6-10(13(15)16)12(17-11)8(2)14;1-2-3;1-2/h3-6,8,12H,1-2H3,(H,15,16);2H2,1H3;1H3.
What are the key properties of fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane?
fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane has a molecular weight of 318.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;2-(1-fluoroethyl)-6-methyl-2H-chromene-3-carboxylic acid;fluoromethane is sourced from PubChem (CID 142959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).