2-fluoro-6-(oxan-3-ylamino)benzonitrile

C12H13FN2O — CID 63611402

IUPAC2-fluoro-6-(oxan-3-ylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NC1CCCOC1
InChIInChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6,8H2
InChIKeyOFMQKJBHCKNSCT-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.29
Rot. Bonds2

About 2-fluoro-6-(oxan-3-ylamino)benzonitrile

2-fluoro-6-(oxan-3-ylamino)benzonitrile (PubChem CID 63611402) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-6-(oxan-3-ylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(oxan-3-ylamino)benzonitrile
PubChem CID63611402
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-fluoro-6-(oxan-3-ylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NC1CCCOC1
InChIInChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6,8H2
InChIKeyOFMQKJBHCKNSCT-UHFFFAOYSA-N
XLogP2.29
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-(oxan-3-ylamino)benzonitrile 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-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
2-bromo-3-fluoro-4-(oxan-3-ylamino)benzonitrile
CID 107533681
2-fluoro-6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]benzonitrile
CID 133311635
2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
CID 78915990
2-fluoro-6-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 62733839
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 43400425
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
2-fluoro-6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]benzonitrile
CID 94032537
N-(5-bromo-2,4-difluorophenyl)oxan-3-amine
CID 102852792

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(oxan-3-ylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(oxan-3-ylamino)benzonitrile (CID 63611402) is 2-fluoro-6-(oxan-3-ylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(oxan-3-ylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(oxan-3-ylamino)benzonitrile is N#Cc1c(F)cccc1NC1CCCOC1.
What is the InChIKey of 2-fluoro-6-(oxan-3-ylamino)benzonitrile?
The InChIKey is OFMQKJBHCKNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-9-3-2-6-16-8-9/h1,4-5,9,15H,2-3,6,8H2.
What are the key properties of 2-fluoro-6-(oxan-3-ylamino)benzonitrile?
2-fluoro-6-(oxan-3-ylamino)benzonitrile has a molecular weight of 220.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(oxan-3-ylamino)benzonitrile is sourced from PubChem (CID 63611402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).