2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile

C10H8FNO2 — CID 167061807

IUPAC2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1C1OCCO1
InChIInChI=1S/C10H8FNO2/c11-8-1-2-9(7(5-8)6-12)10-13-3-4-14-10/h1-2,5,10H,3-4H2
InChIKeySMZMDVHMSYNPMU-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.74
Rot. Bonds1

About 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile

2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile (PubChem CID 167061807) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile
PubChem CID167061807
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1C1OCCO1
InChIInChI=1S/C10H8FNO2/c11-8-1-2-9(7(5-8)6-12)10-13-3-4-14-10/h1-2,5,10H,3-4H2
InChIKeySMZMDVHMSYNPMU-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Dioxolan-2-yl)benzonitrile
CID 2778428
2-(4-Fluorophenyl)-1,3-dioxolane
CID 5074752
2-(3,4-Difluorophenyl)-1,3-dioxolane
CID 24721640
2-(2-Fluorophenyl)-2-methyl-1,3-dioxolane
CID 11252353
2-(2-Fluorophenyl)-1,3-dioxolane
CID 11286683
2-(4-Fluorophenyl)-2-methyl-1,3-dioxolane
CID 11528458
2-(3-Fluorophenyl)-1,3-dioxolane
CID 22012609
2-(2,3,4-Trifluorophenyl)-1,3-dioxolane
CID 86727231
4-(2-Methyl-1,3-dioxolan-2-yl)benzonitrile
CID 599929
2-(2-Phenylphenyl)-1,3-dioxolane
CID 12064053
2-Methyl-2-(2-methylphenyl)-1,3-dioxolane
CID 15150473
5-(1,3-Dioxan-2-yl)-2-fluorobenzonitrile
CID 66545211

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile (CID 167061807) is 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile?
The InChIKey is SMZMDVHMSYNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-1-2-9(7(5-8)6-12)10-13-3-4-14-10/h1-2,5,10H,3-4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile?
2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile has a molecular weight of 193.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 167061807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).