2-(trifluoromethyl)benzo[h]chromen-4-one

C14H7F3O2 — CID 830122

IUPAC2-(trifluoromethyl)benzo[h]chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C14H7F3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H
InChIKeyWSRQNIQNYFDCDQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.96
Rot. Bonds

About 2-(trifluoromethyl)benzo[h]chromen-4-one

2-(trifluoromethyl)benzo[h]chromen-4-one (PubChem CID 830122) has the molecular formula C14H7F3O2 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)benzo[h]chromen-4-one
PubChem CID830122
Molecular FormulaC14H7F3O2
Molecular Weight264.20 g/mol
Exact Mass264.04
IUPAC Name2-(trifluoromethyl)benzo[h]chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C14H7F3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H
InChIKeyWSRQNIQNYFDCDQ-UHFFFAOYSA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(trifluoromethyl)benzo[h]chromen-4-one (CID 830122) is 2-(trifluoromethyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(trifluoromethyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(trifluoromethyl)benzo[h]chromen-4-one is O=c1cc(C(F)(F)F)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(trifluoromethyl)benzo[h]chromen-4-one?
The InChIKey is WSRQNIQNYFDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H.
What are the key properties of 2-(trifluoromethyl)benzo[h]chromen-4-one?
2-(trifluoromethyl)benzo[h]chromen-4-one has a molecular weight of 264.20 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzo[h]chromen-4-one is sourced from PubChem (CID 830122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).