(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride

C10H11ClF3NO — CID 171193179

IUPAC(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc([C@H]2COCCN2)cc(F)c1F
InChIInChI=1S/C10H10F3NO.ClH/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyUQIUJMDXHUFQRA-SBSPUUFOSA-N
MW253.65 g/mol
LogP2.19
Rot. Bonds1

About (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride

(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride (PubChem CID 171193179) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
PubChem CID171193179
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1cc([C@H]2COCCN2)cc(F)c1F
InChIInChI=1S/C10H10F3NO.ClH/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyUQIUJMDXHUFQRA-SBSPUUFOSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
3-(3,5-difluorophenyl)morpholine
CID 55271784
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
3-(3-fluoro-5-methylphenyl)morpholine
CID 55268590
(3R)-3-(2,3,5-trifluorophenyl)morpholine
CID 131262758
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride (CID 171193179) is (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride is Cl.Fc1cc([C@H]2COCCN2)cc(F)c1F.
What is the InChIKey of (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride?
The InChIKey is UQIUJMDXHUFQRA-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9;/h3-4,9,14H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride?
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).