2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile

C12H13FN2O — CID 66703677

IUPAC2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccc(CN2CCOCC2)cc1F
InChIInChI=1S/C12H13FN2O/c13-12-7-10(1-2-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,9H2
InChIKeyJNFNZCWMCWTUGY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.53
Rot. Bonds2

About 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile

2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile (PubChem CID 66703677) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
PubChem CID66703677
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccc(CN2CCOCC2)cc1F
InChIInChI=1S/C12H13FN2O/c13-12-7-10(1-2-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,9H2
InChIKeyJNFNZCWMCWTUGY-UHFFFAOYSA-N
XLogP1.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile
CID 70292076
2-fluoro-5-[[(3S)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 97320656
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129346639
5-chloro-2-(morpholin-4-ylmethyl)benzonitrile
CID 118537804
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
2-fluoro-4-[(4-iodopyrazol-1-yl)methyl]benzonitrile
CID 178201653
2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]benzonitrile
CID 163390174
2-fluoro-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile (CID 66703677) is 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile is N#Cc1ccc(CN2CCOCC2)cc1F.
What is the InChIKey of 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile?
The InChIKey is JNFNZCWMCWTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-12-7-10(1-2-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,9H2.
What are the key properties of 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile?
2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile is sourced from PubChem (CID 66703677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).