7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one

C15H10F3NO3 — CID 155663382

IUPAC7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3cc[nH]c3)cc2o1
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)12-6-14(20)22-13-5-10(1-2-11(12)13)21-8-9-3-4-19-7-9/h1-7,19H,8H2
InChIKeyMUCAOAJFJZLAHN-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.72
Rot. Bonds3

About 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one

7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one (PubChem CID 155663382) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
PubChem CID155663382
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3cc[nH]c3)cc2o1
InChIInChI=1S/C15H10F3NO3/c16-15(17,18)12-6-14(20)22-13-5-10(1-2-11(12)13)21-8-9-3-4-19-7-9/h1-7,19H,8H2
InChIKeyMUCAOAJFJZLAHN-UHFFFAOYSA-N
XLogP3.72
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-(trifluoromethyl)chromen-2-one
CID 78827286
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 38828676
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 18083177
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270
N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
CID 18165435
4-(chloromethyl)-7-[[4-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
CID 51356823
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
4-ethyl-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxymethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25333534

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one (CID 155663382) is 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(OCc3cc[nH]c3)cc2o1.
What is the InChIKey of 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
The InChIKey is MUCAOAJFJZLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3/c16-15(17,18)12-6-14(20)22-13-5-10(1-2-11(12)13)21-8-9-3-4-19-7-9/h1-7,19H,8H2.
What are the key properties of 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one?
7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one has a molecular weight of 309.24 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 155663382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).