2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile

C12H12F2N2O2 — CID 107934019

IUPAC2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
SMILESN#Cc1ccc(N2CCOC(CO)C2)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c13-11-8(5-15)1-2-10(12(11)14)16-3-4-18-9(6-16)7-17/h1-2,9,17H,3-4,6-7H2
InChIKeyZACVTTRMYKLKMP-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.03
Rot. Bonds2

About 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile

2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile (PubChem CID 107934019) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
PubChem CID107934019
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
SMILESN#Cc1ccc(N2CCOC(CO)C2)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c13-11-8(5-15)1-2-10(12(11)14)16-3-4-18-9(6-16)7-17/h1-2,9,17H,3-4,6-7H2
InChIKeyZACVTTRMYKLKMP-UHFFFAOYSA-N
XLogP1.03
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 97350200
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
CID 107934248
ethane;8-[2-(hydroxymethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
CID 153398932
2,3-difluoro-4-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 107933393
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129
4-amino-3-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 104712170
3-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 102816958
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-difluorobenzonitrile
CID 107933955
2,3-difluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzonitrile
CID 114017754
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile (CID 107934019) is 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile is N#Cc1ccc(N2CCOC(CO)C2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile?
The InChIKey is ZACVTTRMYKLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-11-8(5-15)1-2-10(12(11)14)16-3-4-18-9(6-16)7-17/h1-2,9,17H,3-4,6-7H2.
What are the key properties of 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile?
2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile has a molecular weight of 254.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 107934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).