2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine

C7H13F3N2OS — CID 138480646

IUPAC2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SNCCN1CCOCC1
InChIInChI=1S/C7H13F3N2OS/c8-7(9,10)14-11-1-2-12-3-5-13-6-4-12/h11H,1-6H2
InChIKeyYTIGGFONNICCRY-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.08
Rot. Bonds4

About 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine

2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine (PubChem CID 138480646) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine
PubChem CID138480646
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC Name2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SNCCN1CCOCC1
InChIInChI=1S/C7H13F3N2OS/c8-7(9,10)14-11-1-2-12-3-5-13-6-4-12/h11H,1-6H2
InChIKeyYTIGGFONNICCRY-UHFFFAOYSA-N
XLogP1.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
CID 59303713
CID 59303713
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
N-(2-morpholin-4-ylethyl)methanethioamide
CID 59030493
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
(E)-4-chloro-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
CID 81429651
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
N-(2-morpholin-4-ylethyl)carbamodithioate
CID 91929836
4,4-dimethyl-3-(2-morpholin-4-ylethylamino)pentan-1-ol
CID 113434725

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine (CID 138480646) is 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SNCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is YTIGGFONNICCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c8-7(9,10)14-11-1-2-12-3-5-13-6-4-12/h11H,1-6H2.
What are the key properties of 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine?
2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 230.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 138480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).