6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one

C11H5ClF4O2 — CID 715720

IUPAC6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)C(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C11H5ClF4O2/c12-5-1-2-8-6(3-5)7(17)4-9(18-8)11(15,16)10(13)14/h1-4,10H
InChIKeyUHWSPHBDHYBDDQ-UHFFFAOYSA-N
MW280.60 g/mol
LogP3.80
Rot. Bonds2

About 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one

6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one (PubChem CID 715720) has the molecular formula C11H5ClF4O2 and a molecular weight of 280.60 g/mol. Its IUPAC name is 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one
PubChem CID715720
Molecular FormulaC11H5ClF4O2
Molecular Weight280.60 g/mol
Exact Mass279.99
IUPAC Name6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)C(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C11H5ClF4O2/c12-5-1-2-8-6(3-5)7(17)4-9(18-8)11(15,16)10(13)14/h1-4,10H
InChIKeyUHWSPHBDHYBDDQ-UHFFFAOYSA-N
XLogP3.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(trifluoromethyl)chromen-4-one
CID 746049
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6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
6-chloro-2-[(E)-2-(dimethylamino)ethenyl]chromen-4-one
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6-chlorochromen-4-one;ethane
CID 174636561
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
2-chloro-N'-[4-oxo-2-(trifluoromethyl)chromen-6-yl]ethanimidamide
CID 169366896
6-chloro-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
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CID 123394161

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one?
The IUPAC name of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one (CID 715720) is 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one is O=c1cc(C(F)(F)C(F)F)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one?
The InChIKey is UHWSPHBDHYBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4O2/c12-5-1-2-8-6(3-5)7(17)4-9(18-8)11(15,16)10(13)14/h1-4,10H.
What are the key properties of 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one?
6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one has a molecular weight of 280.60 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1,2,2-tetrafluoroethyl)chromen-4-one is sourced from PubChem (CID 715720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).