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

C10H8FNO — CID 175328707

IUPAC1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1C(O)CC2F
InChIInChI=1S/C10H8FNO/c11-8-4-9(13)10-6(5-12)2-1-3-7(8)10/h1-3,8-9,13H,4H2
InChIKeyLJXQGKUTQCRTFA-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.01
Rot. Bonds

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

1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 175328707) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID175328707
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1C(O)CC2F
InChIInChI=1S/C10H8FNO/c11-8-4-9(13)10-6(5-12)2-1-3-7(8)10/h1-3,8-9,13H,4H2
InChIKeyLJXQGKUTQCRTFA-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
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
(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
2-[(4-Fluorophenyl)-hydroxymethyl]prop-2-enenitrile
CID 15372263

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile (CID 175328707) is 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cccc2c1C(O)CC2F.
What is the InChIKey of 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is LJXQGKUTQCRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-8-4-9(13)10-6(5-12)2-1-3-7(8)10/h1-3,8-9,13H,4H2.
What are the key properties of 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile?
1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 177.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 175328707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).