2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile

C10H10FNO2 — CID 67282069

IUPAC2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
SMILESCOCOc1ccc(F)cc1CC#N
InChIInChI=1S/C10H10FNO2/c1-13-7-14-10-3-2-9(11)6-8(10)4-5-12/h2-3,6H,4,7H2,1H3
InChIKeyKZNPRLOXSXAYCE-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.87
Rot. Bonds4

About 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile

2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile (PubChem CID 67282069) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
PubChem CID67282069
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
SMILESCOCOc1ccc(F)cc1CC#N
InChIInChI=1S/C10H10FNO2/c1-13-7-14-10-3-2-9(11)6-8(10)4-5-12/h2-3,6H,4,7H2,1H3
InChIKeyKZNPRLOXSXAYCE-UHFFFAOYSA-N
XLogP1.87
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
CID 175391169
2-[2-(difluoromethoxy)-5-fluorophenyl]acetonitrile
CID 118808935
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
ethane;2-(5-fluoro-2-methylphenyl)acetonitrile
CID 177006757
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
2-(2-tert-butyl-5-fluorophenyl)acetonitrile
CID 59139819
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile (CID 67282069) is 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile is COCOc1ccc(F)cc1CC#N.
What is the InChIKey of 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile?
The InChIKey is KZNPRLOXSXAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-13-7-14-10-3-2-9(11)6-8(10)4-5-12/h2-3,6H,4,7H2,1H3.
What are the key properties of 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile?
2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile has a molecular weight of 195.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile is sourced from PubChem (CID 67282069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).