4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile

C15H16FNO2 — CID 83069363

IUPAC4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-3-1-2-12-11(13)4-5-15(12,18)14(10-17)6-8-19-9-7-14/h1-3,18H,4-9H2
InChIKeyWLQWPVKPGKCTML-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.28
Rot. Bonds1

About 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile

4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile (PubChem CID 83069363) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile
PubChem CID83069363
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-3-1-2-12-11(13)4-5-15(12,18)14(10-17)6-8-19-9-7-14/h1-3,18H,4-9H2
InChIKeyWLQWPVKPGKCTML-UHFFFAOYSA-N
XLogP2.28
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile?
The IUPAC name of 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile (CID 83069363) is 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile?
The canonical SMILES for 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile is N#CC1(C2(O)CCc3c(F)cccc32)CCOCC1.
What is the InChIKey of 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile?
The InChIKey is WLQWPVKPGKCTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-3-1-2-12-11(13)4-5-15(12,18)14(10-17)6-8-19-9-7-14/h1-3,18H,4-9H2.
What are the key properties of 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile?
4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile has a molecular weight of 261.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)oxane-4-carbonitrile is sourced from PubChem (CID 83069363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).