4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile

C16H10FNO2 — CID 114724496

IUPAC4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C16H10FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-8,15,19H
InChIKeyFYOZHMYGWUJVKU-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.53
Rot. Bonds2

About 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile

4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile (PubChem CID 114724496) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
PubChem CID114724496
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C16H10FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-8,15,19H
InChIKeyFYOZHMYGWUJVKU-UHFFFAOYSA-N
XLogP3.53
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724502
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The IUPAC name of 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile (CID 114724496) is 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile is N#Cc1ccc(C(O)c2cc3cccc(F)c3o2)cc1.
What is the InChIKey of 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The InChIKey is FYOZHMYGWUJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-8,15,19H.
What are the key properties of 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile has a molecular weight of 267.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 114724496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).