(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol

C15H8F7NO2 — CID 172637671

IUPAC(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
SMILESO[C@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m0/s1
InChIKeyFCDZKPYPYGFGET-LBPRGKRZSA-N
MW367.22 g/mol
LogP4.72
Rot. Bonds3

About (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol

(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol (PubChem CID 172637671) has the molecular formula C15H8F7NO2 and a molecular weight of 367.22 g/mol. Its IUPAC name is (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
PubChem CID172637671
Molecular FormulaC15H8F7NO2
Molecular Weight367.22 g/mol
Exact Mass367.04
IUPAC Name(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
SMILESO[C@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m0/s1
InChIKeyFCDZKPYPYGFGET-LBPRGKRZSA-N
XLogP4.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The IUPAC name of (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol (CID 172637671) is (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol.
What is the SMILES notation for (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The canonical SMILES for (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol is O[C@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The InChIKey is FCDZKPYPYGFGET-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m0/s1.
What are the key properties of (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
(1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol has a molecular weight of 367.22 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol is sourced from PubChem (CID 172637671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).