(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile

C11H8FNO — CID 129390000

IUPAC(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1c(F)ccc2c1CC[C@@H]2C=O
InChIInChI=1S/C11H8FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,6-7H,1-2H2/t7-/m1/s1
InChIKeyLLWLGMBSHGPRJM-SSDOTTSWSA-N
MW189.19 g/mol
LogP1.93
Rot. Bonds1

About (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile

(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 129390000) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID129390000
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1c(F)ccc2c1CC[C@@H]2C=O
InChIInChI=1S/C11H8FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,6-7H,1-2H2/t7-/m1/s1
InChIKeyLLWLGMBSHGPRJM-SSDOTTSWSA-N
XLogP1.93
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 124560327
5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 164523445
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CID 13156214
tert-butyl N-[[(1S)-4-cyano-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-N-prop-2-enylcarbamate
CID 125499288
formyl fluoride;2,3,6-trifluorobenzonitrile
CID 174393196
6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile
CID 86647307
4-fluoro-2-methoxybenzene-1,3-dicarbonitrile
CID 118901962
1-(1,4-diazepan-1-ylmethyl)-6-fluoro-3,4-dihydro-1H-isochromene-5-carbonitrile
CID 123785820
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 125492714
2-(cyclopropanecarbonyl)-6-fluorobenzonitrile
CID 130136989

Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile (CID 129390000) is (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1c(F)ccc2c1CC[C@@H]2C=O.
What is the InChIKey of (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is LLWLGMBSHGPRJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H8FNO/c12-11-4-3-8-7(6-14)1-2-9(8)10(11)5-13/h3-4,6-7H,1-2H2/t7-/m1/s1.
What are the key properties of (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile?
(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 189.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 129390000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).