7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

C12H4F4N2O — CID 169095209

IUPAC7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESO=C1c2cc(F)ccc2-c2cnc(C(F)(F)F)nc21
InChIInChI=1S/C12H4F4N2O/c13-5-1-2-6-7(3-5)10(19)9-8(6)4-17-11(18-9)12(14,15)16/h1-4H
InChIKeyJGFRDJAVEKHFPK-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.85
Rot. Bonds

About 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (PubChem CID 169095209) has the molecular formula C12H4F4N2O and a molecular weight of 268.17 g/mol. Its IUPAC name is 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
PubChem CID169095209
Molecular FormulaC12H4F4N2O
Molecular Weight268.17 g/mol
Exact Mass268.03
IUPAC Name7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESO=C1c2cc(F)ccc2-c2cnc(C(F)(F)F)nc21
InChIInChI=1S/C12H4F4N2O/c13-5-1-2-6-7(3-5)10(19)9-8(6)4-17-11(18-9)12(14,15)16/h1-4H
InChIKeyJGFRDJAVEKHFPK-UHFFFAOYSA-N
XLogP2.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (CID 169095209) is 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is O=C1c2cc(F)ccc2-c2cnc(C(F)(F)F)nc21.
What is the InChIKey of 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The InChIKey is JGFRDJAVEKHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F4N2O/c13-5-1-2-6-7(3-5)10(19)9-8(6)4-17-11(18-9)12(14,15)16/h1-4H.
What are the key properties of 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one has a molecular weight of 268.17 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 169095209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).