2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile

C12H13FN2O — CID 93035407

IUPAC2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NC[C@H]1CCCO1
InChIInChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6,8H2/t9-/m1/s1
InChIKeyDEDZYCJULAKUES-SECBINFHSA-N
MW220.25 g/mol
LogP2.29
Rot. Bonds3

About 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile

2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile (PubChem CID 93035407) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile
PubChem CID93035407
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NC[C@H]1CCCO1
InChIInChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6,8H2/t9-/m1/s1
InChIKeyDEDZYCJULAKUES-SECBINFHSA-N
XLogP2.29
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

Dimethyl-(4-{[(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenyl)-amine hydrochloride
CID 2960152
2-Fluoro-6-morpholinobenzonitrile
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2-[(Tetrahydro-2-furanylmethyl)amino]isophthalonitrile
CID 16413661
4-[(2-Methoxyethyl)amino]benzonitrile
CID 28411076
5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile
CID 4780520
2-Fluoro-6-(2-hydroxyethylamino)benzonitrile
CID 2804365
2-(2,2-Dimethoxyethylamino)-6-fluorobenzonitrile
CID 2805533
3-Fluoro-4-[3-(oxolan-2-ylmethoxy)propylamino]benzonitrile
CID 71996814
2-Fluoro-6-[3-(oxolan-3-ylmethoxy)propylamino]benzonitrile
CID 72003508
2-Fluoro-6-[3-(oxan-4-ylmethoxy)propylamino]benzonitrile
CID 72003542
3-Fluoro-4-[3-(oxolan-3-ylmethoxy)propylamino]benzonitrile
CID 72128326
N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine
CID 75525398

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile (CID 93035407) is 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile is N#Cc1c(F)cccc1NC[C@H]1CCCO1.
What is the InChIKey of 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile?
The InChIKey is DEDZYCJULAKUES-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6,8H2/t9-/m1/s1.
What are the key properties of 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile?
2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile has a molecular weight of 220.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(2R)-oxolan-2-yl]methylamino]benzonitrile is sourced from PubChem (CID 93035407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).