[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

C13H17ClFNO2 — CID 86781915

IUPAC[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO2/c1-9-8-18-11(7-17)6-16(9)5-10-3-2-4-12(14)13(10)15/h2-4,9,11,17H,5-8H2,1H3
InChIKeyHYVJKROYQLQZRM-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.06
Rot. Bonds3

About [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 86781915) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID86781915
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO2/c1-9-8-18-11(7-17)6-16(9)5-10-3-2-4-12(14)13(10)15/h2-4,9,11,17H,5-8H2,1H3
InChIKeyHYVJKROYQLQZRM-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219427
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 75440057

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 86781915) is [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1cccc(Cl)c1F.
What is the InChIKey of [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is HYVJKROYQLQZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-9-8-18-11(7-17)6-16(9)5-10-3-2-4-12(14)13(10)15/h2-4,9,11,17H,5-8H2,1H3.
What are the key properties of [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 273.73 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 86781915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).