(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione

C12H10BrF4NOS — CID 159833321

IUPAC(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione
SMILESCC1(c2cc(Br)ccc2F)NC(=S)CO[C@H]1C(F)(F)F
InChIInChI=1S/C12H10BrF4NOS/c1-11(7-4-6(13)2-3-8(7)14)10(12(15,16)17)19-5-9(20)18-11/h2-4,10H,5H2,1H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyNNSQJEJUFJPHRA-NFJWQWPMSA-N
MW372.18 g/mol
LogP3.68
Rot. Bonds1

About (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione

(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione (PubChem CID 159833321) has the molecular formula C12H10BrF4NOS and a molecular weight of 372.18 g/mol. Its IUPAC name is (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione.

Molecular Properties

Compound Name(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione
PubChem CID159833321
Molecular FormulaC12H10BrF4NOS
Molecular Weight372.18 g/mol
Exact Mass370.96
IUPAC Name(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione
SMILESCC1(c2cc(Br)ccc2F)NC(=S)CO[C@H]1C(F)(F)F
InChIInChI=1S/C12H10BrF4NOS/c1-11(7-4-6(13)2-3-8(7)14)10(12(15,16)17)19-5-9(20)18-11/h2-4,10H,5H2,1H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyNNSQJEJUFJPHRA-NFJWQWPMSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromo-2-fluorophenyl)-5-(difluoromethyl)-2-methylmorpholine-3-thione
CID 86650266
(5R,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 122196031
[4-amino-4-(5-bromo-2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
CID 142379078
(2S,5R)-2-benzyl-5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
CID 66931472
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
CID 86667993
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
(4aS,8aR)-4a-(5-bromo-2-fluorophenyl)-2,2,7,7-tetramethyl-3-methylidene-4,5,8,8a-tetrahydropyrano[4,3-b][1,4]thiazine 1,1-dioxide
CID 160657936
6-(5-bromo-2-fluorophenyl)-5-formyl-4,6-dimethylpiperazine-2-sulfonic acid
CID 175276696
4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-5,6,7,9-tetrahydropyrazolo[1,5-a]azocine-8-thione
CID 123632660

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione?
The IUPAC name of (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione (CID 159833321) is (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione.
What is the SMILES notation for (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione?
The canonical SMILES for (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione is CC1(c2cc(Br)ccc2F)NC(=S)CO[C@H]1C(F)(F)F.
What is the InChIKey of (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione?
The InChIKey is NNSQJEJUFJPHRA-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H10BrF4NOS/c1-11(7-4-6(13)2-3-8(7)14)10(12(15,16)17)19-5-9(20)18-11/h2-4,10H,5H2,1H3,(H,18,20)/t10-,11?/m1/s1.
What are the key properties of (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione?
(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione has a molecular weight of 372.18 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione is sourced from PubChem (CID 159833321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).