2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

C17H21ClFNO3 — CID 129486574

IUPAC2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O
InChIInChI=1S/C17H21ClFNO3/c18-13-4-2-5-14(19)12(13)9-17(22)20-7-8-23-10-15(20)11-3-1-6-16(11)21/h2,4-5,11,15-16,21H,1,3,6-10H2/t11-,15-,16-/m1/s1
InChIKeyFNBHXIZWALTNKE-HFBAOOFYSA-N
MW341.81 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (PubChem CID 129486574) has the molecular formula C17H21ClFNO3 and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
PubChem CID129486574
Molecular FormulaC17H21ClFNO3
Molecular Weight341.81 g/mol
Exact Mass341.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O
InChIInChI=1S/C17H21ClFNO3/c18-13-4-2-5-14(19)12(13)9-17(22)20-7-8-23-10-15(20)11-3-1-6-16(11)21/h2,4-5,11,15-16,21H,1,3,6-10H2/t11-,15-,16-/m1/s1
InChIKeyFNBHXIZWALTNKE-HFBAOOFYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone (CID 129486574) is 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
The InChIKey is FNBHXIZWALTNKE-HFBAOOFYSA-N. The full InChI is InChI=1S/C17H21ClFNO3/c18-13-4-2-5-14(19)12(13)9-17(22)20-7-8-23-10-15(20)11-3-1-6-16(11)21/h2,4-5,11,15-16,21H,1,3,6-10H2/t11-,15-,16-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone has a molecular weight of 341.81 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129486574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).