2-benzylmorpholine;2-(trifluoromethyl)benzenethiol

C18H20F3NOS — CID 142864888

IUPAC2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)c1ccccc1S.c1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C11H15NO.C7H5F3S/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11-12H,6-9H2;1-4,11H
InChIKeyKYCPHCBPBQDBPV-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.21
Rot. Bonds2

About 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol

2-benzylmorpholine;2-(trifluoromethyl)benzenethiol (PubChem CID 142864888) has the molecular formula C18H20F3NOS and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
PubChem CID142864888
Molecular FormulaC18H20F3NOS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)c1ccccc1S.c1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C11H15NO.C7H5F3S/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11-12H,6-9H2;1-4,11H
InChIKeyKYCPHCBPBQDBPV-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
CID 142864910
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
5-benzyl-1,3-oxazolidine
CID 141039879
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
(1R)-2-[(2S)-morpholin-2-yl]-1-phenylethanol
CID 91338656
2-methoxy-3-(morpholin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonic acid
CID 142763021
2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
CID 88670250
2-(1H-pyrrol-2-ylmethyl)morpholine
CID 116927846
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid
CID 174337618

Frequently Asked Questions

What is the IUPAC name of 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol?
The IUPAC name of 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol (CID 142864888) is 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol?
The canonical SMILES for 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol is FC(F)(F)c1ccccc1S.c1ccc(CC2CNCCO2)cc1.
What is the InChIKey of 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol?
The InChIKey is KYCPHCBPBQDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C7H5F3S/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;8-7(9,10)5-3-1-2-4-6(5)11/h1-5,11-12H,6-9H2;1-4,11H.
What are the key properties of 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol?
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol has a molecular weight of 355.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylmorpholine;2-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 142864888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).