2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile

C10H8FNO — CID 117277411

IUPAC2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
SMILESN#CCc1c(F)ccc2c1OCC2
InChIInChI=1S/C10H8FNO/c11-9-2-1-7-4-6-13-10(7)8(9)3-5-12/h1-2H,3-4,6H2
InChIKeyBTDVKESEDAYHDO-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.83
Rot. Bonds1

About 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile

2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile (PubChem CID 117277411) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
PubChem CID117277411
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
SMILESN#CCc1c(F)ccc2c1OCC2
InChIInChI=1S/C10H8FNO/c11-9-2-1-7-4-6-13-10(7)8(9)3-5-12/h1-2H,3-4,6H2
InChIKeyBTDVKESEDAYHDO-UHFFFAOYSA-N
XLogP1.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 117276567
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117298789
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
CID 117297394
(E)-3-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117283537
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
CID 171829628
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
CID 58589743
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
2-(3-chloro-6-fluoro-2-iodophenyl)acetonitrile
CID 171004728
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile?
The IUPAC name of 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile (CID 117277411) is 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile?
The canonical SMILES for 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile is N#CCc1c(F)ccc2c1OCC2.
What is the InChIKey of 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile?
The InChIKey is BTDVKESEDAYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-2-1-7-4-6-13-10(7)8(9)3-5-12/h1-2H,3-4,6H2.
What are the key properties of 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile?
2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile has a molecular weight of 177.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile is sourced from PubChem (CID 117277411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).