3-(trifluoromethyl)benzo[c]chromen-6-one

C14H7F3O2 — CID 102144781

IUPAC3-(trifluoromethyl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(C(F)(F)F)ccc2c2ccccc12
InChIInChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-10-9-3-1-2-4-11(9)13(18)19-12(10)7-8/h1-7H
InChIKeyFKDQWBQGZMJTRU-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.96
Rot. Bonds

About 3-(trifluoromethyl)benzo[c]chromen-6-one

3-(trifluoromethyl)benzo[c]chromen-6-one (PubChem CID 102144781) has the molecular formula C14H7F3O2 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(trifluoromethyl)benzo[c]chromen-6-one
PubChem CID102144781
Molecular FormulaC14H7F3O2
Molecular Weight264.20 g/mol
Exact Mass264.04
IUPAC Name3-(trifluoromethyl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(C(F)(F)F)ccc2c2ccccc12
InChIInChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-10-9-3-1-2-4-11(9)13(18)19-12(10)7-8/h1-7H
InChIKeyFKDQWBQGZMJTRU-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)benzo[c]chromen-6-one?
The IUPAC name of 3-(trifluoromethyl)benzo[c]chromen-6-one (CID 102144781) is 3-(trifluoromethyl)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(trifluoromethyl)benzo[c]chromen-6-one?
The canonical SMILES for 3-(trifluoromethyl)benzo[c]chromen-6-one is O=c1oc2cc(C(F)(F)F)ccc2c2ccccc12.
What is the InChIKey of 3-(trifluoromethyl)benzo[c]chromen-6-one?
The InChIKey is FKDQWBQGZMJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-10-9-3-1-2-4-11(9)13(18)19-12(10)7-8/h1-7H.
What are the key properties of 3-(trifluoromethyl)benzo[c]chromen-6-one?
3-(trifluoromethyl)benzo[c]chromen-6-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 3-(trifluoromethyl)benzo[c]chromen-6-one is sourced from PubChem (CID 102144781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).