3-fluoro-4-(furan-3-ylmethoxy)benzonitrile

C12H8FNO2 — CID 107670468

IUPAC3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccoc2)c(F)c1
InChIInChI=1S/C12H8FNO2/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-5,7H,8H2
InChIKeyIABJEVJQYBXJPG-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.87
Rot. Bonds3

About 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile

3-fluoro-4-(furan-3-ylmethoxy)benzonitrile (PubChem CID 107670468) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
PubChem CID107670468
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccoc2)c(F)c1
InChIInChI=1S/C12H8FNO2/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-5,7H,8H2
InChIKeyIABJEVJQYBXJPG-UHFFFAOYSA-N
XLogP2.87
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
CID 107670454
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
4-[(4-bromo-2-fluorophenoxy)methyl]-3-fluorobenzonitrile
CID 28880519
4-[[4-(2-aminoethyl)-2-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107692723

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile (CID 107670468) is 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2ccoc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile?
The InChIKey is IABJEVJQYBXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-5,7H,8H2.
What are the key properties of 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile?
3-fluoro-4-(furan-3-ylmethoxy)benzonitrile has a molecular weight of 217.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(furan-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 107670468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).