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

C10H10F3NO — CID 131573948

IUPAC(3S)-3-(3,4,5-trifluorophenyl)morpholine
SMILESFc1cc([C@H]2COCCN2)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2/t9-/m1/s1
InChIKeyZATGEFIZOZSVMJ-SECBINFHSA-N
MW217.19 g/mol
LogP1.76
Rot. Bonds1

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

(3S)-3-(3,4,5-trifluorophenyl)morpholine (PubChem CID 131573948) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (3S)-3-(3,4,5-trifluorophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3,4,5-trifluorophenyl)morpholine
PubChem CID131573948
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(3S)-3-(3,4,5-trifluorophenyl)morpholine
SMILESFc1cc([C@H]2COCCN2)cc(F)c1F
InChIInChI=1S/C10H10F3NO/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2/t9-/m1/s1
InChIKeyZATGEFIZOZSVMJ-SECBINFHSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.76
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;hydrochloride
CID 171193179
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
3-(3,5-difluorophenyl)morpholine
CID 55271784
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618
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-bromo-5-fluorophenyl)morpholine
CID 130605575
3-fluoro-5-morpholin-3-ylphenol
CID 55271718
3-(3,5-dibromophenyl)morpholine
CID 126971173

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4,5-trifluorophenyl)morpholine?
The IUPAC name of (3S)-3-(3,4,5-trifluorophenyl)morpholine (CID 131573948) is (3S)-3-(3,4,5-trifluorophenyl)morpholine.
What is the SMILES notation for (3S)-3-(3,4,5-trifluorophenyl)morpholine?
The canonical SMILES for (3S)-3-(3,4,5-trifluorophenyl)morpholine is Fc1cc([C@H]2COCCN2)cc(F)c1F.
What is the InChIKey of (3S)-3-(3,4,5-trifluorophenyl)morpholine?
The InChIKey is ZATGEFIZOZSVMJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-7-3-6(4-8(12)10(7)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2/t9-/m1/s1.
What are the key properties of (3S)-3-(3,4,5-trifluorophenyl)morpholine?
(3S)-3-(3,4,5-trifluorophenyl)morpholine has a molecular weight of 217.19 g/mol, XLogP of 1.76, 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 is sourced from PubChem (CID 131573948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).