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

C11H10FNO — CID 83069835

IUPAC2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
SMILESN#CCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C11H10FNO/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,14H,4-6H2
InChIKeyMJDAHSYGYBUQMD-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.87
Rot. Bonds1

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

2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile (PubChem CID 83069835) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
PubChem CID83069835
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
SMILESN#CCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C11H10FNO/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,14H,4-6H2
InChIKeyMJDAHSYGYBUQMD-UHFFFAOYSA-N
XLogP1.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile?
The IUPAC name of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile (CID 83069835) is 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile is N#CCC1(O)CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile?
The InChIKey is MJDAHSYGYBUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-10-3-1-2-9-8(10)4-5-11(9,14)6-7-13/h1-3,14H,4-6H2.
What are the key properties of 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile?
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile has a molecular weight of 191.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile is sourced from PubChem (CID 83069835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).