7-(trichloromethyl)chromen-2-one

C10H5Cl3O2 — CID 90255684

IUPAC7-(trichloromethyl)chromen-2-one
SMILESO=c1ccc2ccc(C(Cl)(Cl)Cl)cc2o1
InChIInChI=1S/C10H5Cl3O2/c11-10(12,13)7-3-1-6-2-4-9(14)15-8(6)5-7/h1-5H
InChIKeyQMNKQAPBRAXPBX-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.62
Rot. Bonds

About 7-(trichloromethyl)chromen-2-one

7-(trichloromethyl)chromen-2-one (PubChem CID 90255684) has the molecular formula C10H5Cl3O2 and a molecular weight of 263.51 g/mol. Its IUPAC name is 7-(trichloromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(trichloromethyl)chromen-2-one
PubChem CID90255684
Molecular FormulaC10H5Cl3O2
Molecular Weight263.51 g/mol
Exact Mass261.94
IUPAC Name7-(trichloromethyl)chromen-2-one
SMILESO=c1ccc2ccc(C(Cl)(Cl)Cl)cc2o1
InChIInChI=1S/C10H5Cl3O2/c11-10(12,13)7-3-1-6-2-4-9(14)15-8(6)5-7/h1-5H
InChIKeyQMNKQAPBRAXPBX-UHFFFAOYSA-N
XLogP3.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,7-dihydroxychromen-2-one
CID 5281416
6-tert-butylchromen-2-one
CID 11171674
6-(1,1,2,2,2-pentafluoroethyl)chromen-2-one
CID 167114678
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-aminochromen-2-one;ethane
CID 166456004
7-ethynoxychromen-2-one
CID 167427809
7-(4-methylphenyl)chromen-2-one
CID 50994676
(2-oxochromen-7-yl) hypoiodite
CID 138751183
(2-oxochromen-7-yl) 2-chlorobenzoate
CID 964640
chromen-2-one;copper
CID 175033656
7-hydroxychromen-2-one;phosphoric acid
CID 87360141

Frequently Asked Questions

What is the IUPAC name of 7-(trichloromethyl)chromen-2-one?
The IUPAC name of 7-(trichloromethyl)chromen-2-one (CID 90255684) is 7-(trichloromethyl)chromen-2-one.
What is the SMILES notation for 7-(trichloromethyl)chromen-2-one?
The canonical SMILES for 7-(trichloromethyl)chromen-2-one is O=c1ccc2ccc(C(Cl)(Cl)Cl)cc2o1.
What is the InChIKey of 7-(trichloromethyl)chromen-2-one?
The InChIKey is QMNKQAPBRAXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3O2/c11-10(12,13)7-3-1-6-2-4-9(14)15-8(6)5-7/h1-5H.
What are the key properties of 7-(trichloromethyl)chromen-2-one?
7-(trichloromethyl)chromen-2-one has a molecular weight of 263.51 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trichloromethyl)chromen-2-one is sourced from PubChem (CID 90255684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).