(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile

C10H8FNO2 — CID 125492714

IUPAC(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
SMILESCO[C@H]1Cc2c(ccc(F)c2C#N)O1
InChIInChI=1S/C10H8FNO2/c1-13-10-4-6-7(5-12)8(11)2-3-9(6)14-10/h2-3,10H,4H2,1H3/t10-/m1/s1
InChIKeyNJEINIONVJIXSF-SNVBAGLBSA-N
MW193.18 g/mol
LogP1.60
Rot. Bonds1

About (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile

(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile (PubChem CID 125492714) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile.

Molecular Properties

Compound Name(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
PubChem CID125492714
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
SMILESCO[C@H]1Cc2c(ccc(F)c2C#N)O1
InChIInChI=1S/C10H8FNO2/c1-13-10-4-6-7(5-12)8(11)2-3-9(6)14-10/h2-3,10H,4H2,1H3/t10-/m1/s1
InChIKeyNJEINIONVJIXSF-SNVBAGLBSA-N
XLogP1.60
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran
CID 121412474
4-fluoro-2-methoxybenzene-1,3-dicarbonitrile
CID 118901962
5-fluoro-3-hydroxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 121412588
(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 129390000
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CID 13156214
5-fluoro-2-methyl-3H-1,2-benzothiazole-4-carbonitrile
CID 175748466
6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile
CID 86647307
6-fluoro-2-hydroxy-3-methoxybenzonitrile
CID 117276436
5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine
CID 174359912
4-bromo-6-fluoro-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 168942530
(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 124560327
tert-butyl N-[[(1S)-4-cyano-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]-N-prop-2-enylcarbamate
CID 125499288

Frequently Asked Questions

What is the IUPAC name of (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The IUPAC name of (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile (CID 125492714) is (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile.
What is the SMILES notation for (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The canonical SMILES for (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile is CO[C@H]1Cc2c(ccc(F)c2C#N)O1.
What is the InChIKey of (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The InChIKey is NJEINIONVJIXSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-13-10-4-6-7(5-12)8(11)2-3-9(6)14-10/h2-3,10H,4H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
(2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile has a molecular weight of 193.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile is sourced from PubChem (CID 125492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).