(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride

C17H16ClF4NO2 — CID 87510835

IUPAC(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride
SMILESCl.Fc1cccc(-c2c(F)cc(F)c(OC[C@@H]3CNCCO3)c2F)c1
InChIInChI=1S/C17H15F4NO2.ClH/c18-11-3-1-2-10(6-11)15-13(19)7-14(20)17(16(15)21)24-9-12-8-22-4-5-23-12;/h1-3,6-7,12,22H,4-5,8-9H2;1H/t12-;/m0./s1
InChIKeyFGTBLJMXDHSCTQ-YDALLXLXSA-N
MW377.77 g/mol
LogP3.70
Rot. Bonds4

About (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride

(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride (PubChem CID 87510835) has the molecular formula C17H16ClF4NO2 and a molecular weight of 377.77 g/mol. Its IUPAC name is (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride
PubChem CID87510835
Molecular FormulaC17H16ClF4NO2
Molecular Weight377.77 g/mol
Exact Mass377.08
IUPAC Name(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride
SMILESCl.Fc1cccc(-c2c(F)cc(F)c(OC[C@@H]3CNCCO3)c2F)c1
InChIInChI=1S/C17H15F4NO2.ClH/c18-11-3-1-2-10(6-11)15-13(19)7-14(20)17(16(15)21)24-9-12-8-22-4-5-23-12;/h1-3,6-7,12,22H,4-5,8-9H2;1H/t12-;/m0./s1
InChIKeyFGTBLJMXDHSCTQ-YDALLXLXSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride (CID 87510835) is (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride is Cl.Fc1cccc(-c2c(F)cc(F)c(OC[C@@H]3CNCCO3)c2F)c1.
What is the InChIKey of (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride?
The InChIKey is FGTBLJMXDHSCTQ-YDALLXLXSA-N. The full InChI is InChI=1S/C17H15F4NO2.ClH/c18-11-3-1-2-10(6-11)15-13(19)7-14(20)17(16(15)21)24-9-12-8-22-4-5-23-12;/h1-3,6-7,12,22H,4-5,8-9H2;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride?
(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride has a molecular weight of 377.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride is sourced from PubChem (CID 87510835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).