3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol

C14H9F3N2O — CID 90029576

IUPAC3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol
SMILESOC1C=C(c2nccc(C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-5-6-18-13(19-12)10-7-11(20)9-4-2-1-3-8(9)10/h1-7,11,20H
InChIKeyZAKNXXIAJMVUFB-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.97
Rot. Bonds1

About 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol

3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol (PubChem CID 90029576) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol
PubChem CID90029576
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol
SMILESOC1C=C(c2nccc(C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-5-6-18-13(19-12)10-7-11(20)9-4-2-1-3-8(9)10/h1-7,11,20H
InChIKeyZAKNXXIAJMVUFB-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol (CID 90029576) is 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol is OC1C=C(c2nccc(C(F)(F)F)n2)c2ccccc21.
What is the InChIKey of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol?
The InChIKey is ZAKNXXIAJMVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)12-5-6-18-13(19-12)10-7-11(20)9-4-2-1-3-8(9)10/h1-7,11,20H.
What are the key properties of 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol?
3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol has a molecular weight of 278.23 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-inden-1-ol is sourced from PubChem (CID 90029576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).