4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde

C14H18FNO3 — CID 174554386

IUPAC4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde
SMILESCC1CN([C@@H](C)c2ccc(F)cc2)C(C=O)C(O)O1
InChIInChI=1S/C14H18FNO3/c1-9-7-16(13(8-17)14(18)19-9)10(2)11-3-5-12(15)6-4-11/h3-6,8-10,13-14,18H,7H2,1-2H3/t9?,10-,13?,14?/m0/s1
InChIKeyHDGBLCFRADHLPB-HYAMIDOJSA-N
MW267.30 g/mol
LogP1.49
Rot. Bonds3

About 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde

4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde (PubChem CID 174554386) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde
PubChem CID174554386
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde
SMILESCC1CN([C@@H](C)c2ccc(F)cc2)C(C=O)C(O)O1
InChIInChI=1S/C14H18FNO3/c1-9-7-16(13(8-17)14(18)19-9)10(2)11-3-5-12(15)6-4-11/h3-6,8-10,13-14,18H,7H2,1-2H3/t9?,10-,13?,14?/m0/s1
InChIKeyHDGBLCFRADHLPB-HYAMIDOJSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde (CID 174554386) is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde is CC1CN([C@@H](C)c2ccc(F)cc2)C(C=O)C(O)O1.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde?
The InChIKey is HDGBLCFRADHLPB-HYAMIDOJSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-7-16(13(8-17)14(18)19-9)10(2)11-3-5-12(15)6-4-11/h3-6,8-10,13-14,18H,7H2,1-2H3/t9?,10-,13?,14?/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde?
4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde has a molecular weight of 267.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholine-3-carbaldehyde is sourced from PubChem (CID 174554386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).