2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile

C17H21FN2O2 — CID 129346639

IUPAC2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F
InChIInChI=1S/C17H21FN2O2/c18-15-8-12(4-5-13(15)9-19)10-20-6-7-22-11-16(20)14-2-1-3-17(14)21/h4-5,8,14,16-17,21H,1-3,6-7,10-11H2/t14-,16+,17+/m0/s1
InChIKeyMWGRFCHJQWIBDV-USXIJHARSA-N
MW304.36 g/mol
LogP2.06
Rot. Bonds3

About 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile

2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (PubChem CID 129346639) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
PubChem CID129346639
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F
InChIInChI=1S/C17H21FN2O2/c18-15-8-12(4-5-13(15)9-19)10-20-6-7-22-11-16(20)14-2-1-3-17(14)21/h4-5,8,14,16-17,21H,1-3,6-7,10-11H2/t14-,16+,17+/m0/s1
InChIKeyMWGRFCHJQWIBDV-USXIJHARSA-N
XLogP2.06
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]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-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578
2-fluoro-5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483755
2-fluoro-5-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483754
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484142
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
2-fluoro-4-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129491620
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
3-[[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346535

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (CID 129346639) is 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F.
What is the InChIKey of 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The InChIKey is MWGRFCHJQWIBDV-USXIJHARSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-8-12(4-5-13(15)9-19)10-20-6-7-22-11-16(20)14-2-1-3-17(14)21/h4-5,8,14,16-17,21H,1-3,6-7,10-11H2/t14-,16+,17+/m0/s1.
What are the key properties of 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 129346639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).