4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

C10H8FNO — CID 156851082

IUPAC4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CCC2O
InChIInChI=1S/C10H8FNO/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9,13H,3-4H2
InChIKeyIIJREHUWIDRYIN-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.68
Rot. Bonds

About 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156851082) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID156851082
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CCC2O
InChIInChI=1S/C10H8FNO/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9,13H,3-4H2
InChIKeyIIJREHUWIDRYIN-UHFFFAOYSA-N
XLogP1.68
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzonitrile
CID 59492844
3-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzonitrile
CID 59493056
7-methyl-2,3-dihydro-1H-inden-1-ol
CID 23082867
(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 102085537
6-tert-butyl-2,3-dihydro-1H-inden-1-ol
CID 18402850
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 47003503
(1R)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11607933
(1S)-4-Methylindan-1-ol
CID 11615192
(r)-4-Methyl-indan-1-ol
CID 11629630
(1S)-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 11643947
6-Methyl-2,3-dihydro-1H-inden-1-ol
CID 12337217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 156851082) is 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1F)CCC2O.
What is the InChIKey of 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is IIJREHUWIDRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9,13H,3-4H2.
What are the key properties of 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 177.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156851082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).