4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile

C14H12FNO3 — CID 24971205

IUPAC4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(OCCF)=CC(=O)O2)cc1
InChIInChI=1S/C14H12FNO3/c15-5-6-18-12-7-13(19-14(17)8-12)11-3-1-10(9-16)2-4-11/h1-4,8,13H,5-7H2
InChIKeyIUUYCGBGFNKVNT-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.42
Rot. Bonds4

About 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile

4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile (PubChem CID 24971205) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile
PubChem CID24971205
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(OCCF)=CC(=O)O2)cc1
InChIInChI=1S/C14H12FNO3/c15-5-6-18-12-7-13(19-14(17)8-12)11-3-1-10(9-16)2-4-11/h1-4,8,13H,5-7H2
InChIKeyIUUYCGBGFNKVNT-UHFFFAOYSA-N
XLogP2.42
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-2,3-dihydropyran-6-one
CID 53483992
(R)-alpha-Acetoxyphenylacetonitrile
CID 11041226
4-Methoxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-6-one
CID 53382859
4-Methoxy-6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 12202125
Mls002638792
CID 228445
2-(4-Cyanobenzyloxy)tropone
CID 13764750
2(5H)-Furanone, 3-cyano-4,5-diphenyl-
CID 569881
3-(4-Methoxy-6-oxo-2,3-dihydropyran-2-yl)benzonitrile
CID 11736338
3-[4-(2-Fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile
CID 53382862
1-[4-(Trifluoromethyl)phenyl]ethyl 3-methylbut-2-enoate
CID 178299913
[(S)-cyano-[4-(trifluoromethyl)phenyl]methyl] acetate
CID 11436462
[(S)-cyano-(4-fluorophenyl)methyl] acetate
CID 12012411

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile?
The IUPAC name of 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile (CID 24971205) is 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile is N#Cc1ccc(C2CC(OCCF)=CC(=O)O2)cc1.
What is the InChIKey of 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile?
The InChIKey is IUUYCGBGFNKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-5-6-18-12-7-13(19-14(17)8-12)11-3-1-10(9-16)2-4-11/h1-4,8,13H,5-7H2.
What are the key properties of 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile?
4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile has a molecular weight of 261.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethoxy)-6-oxo-2,3-dihydropyran-2-yl]benzonitrile is sourced from PubChem (CID 24971205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).