N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide

C13H12F3NO2 — CID 126840431

IUPACN,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2ccccc2OC1C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-17(2)12(18)9-7-8-5-3-4-6-10(8)19-11(9)13(14,15)16/h3-7,11H,1-2H3
InChIKeyMSDSOLUZGCTSCV-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.48
Rot. Bonds1

About N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide

N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide (PubChem CID 126840431) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
PubChem CID126840431
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2ccccc2OC1C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-17(2)12(18)9-7-8-5-3-4-6-10(8)19-11(9)13(14,15)16/h3-7,11H,1-2H3
InChIKeyMSDSOLUZGCTSCV-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14971254
Delta(3)-chromene-3-carboxamide
CID 25032
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CID 28922
Piperazine, 1-(2H-1-benzopyran-3-ylcarbonyl)-4-methyl-
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CID 45053
2H-1-Benzopyran-3-carboxamide, N-butyl-
CID 55155
(5Z)-5-(2H-chromen-3-ylmethylidene)-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 1943867
2H-1-Benzopyran-3-carboxamide, N,N-diethyl-
CID 55152
6-ethoxy-N-methyl-2H-chromene-3-carboxamide
CID 53512625
2-Ethoxy-3-fluoro-N,N-dimethylbenzamide
CID 84584900
N-methyl-2-oxo-N-propyl-2H-chromene-3-carboxamide
CID 6457032
2H-chromen-3-yl(morpholino)methanone
CID 22578418

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide (CID 126840431) is N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide is CN(C)C(=O)C1=Cc2ccccc2OC1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide?
The InChIKey is MSDSOLUZGCTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-17(2)12(18)9-7-8-5-3-4-6-10(8)19-11(9)13(14,15)16/h3-7,11H,1-2H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide?
N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 126840431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).