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

C10H8FNO — CID 146014177

IUPAC7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc(F)c2c(c1)CCC2O
InChIInChI=1S/C10H8FNO/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-4,9,13H,1-2H2
InChIKeyOJEKWARNDAECMM-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.68
Rot. Bonds

About 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile

7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 146014177) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID146014177
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc(F)c2c(c1)CCC2O
InChIInChI=1S/C10H8FNO/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-4,9,13H,1-2H2
InChIKeyOJEKWARNDAECMM-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

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Related Compounds

(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
9-Hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
CID 59492936
9-Hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
(1R)-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 28293932
4-Fluoro-3-(1-hydroxyethyl)benzonitrile
CID 23000166
5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 23082890
(1S)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 28293917

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 146014177) is 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1cc(F)c2c(c1)CCC2O.
What is the InChIKey of 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is OJEKWARNDAECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-8-4-6(5-12)3-7-1-2-9(13)10(7)8/h3-4,9,13H,1-2H2.
What are the key properties of 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile?
7-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 7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 146014177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).