2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine

C9H16F4N2S — CID 106294061

IUPAC2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCCC1CSCCN1
InChIInChI=1S/C9H16F4N2S/c10-8(11)9(12,13)6-14-2-1-7-5-16-4-3-15-7/h7-8,14-15H,1-6H2
InChIKeyYKBMWNARRPMHNZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (PubChem CID 106294061) has the molecular formula C9H16F4N2S and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
PubChem CID106294061
Molecular FormulaC9H16F4N2S
Molecular Weight260.30 g/mol
Exact Mass260.10
IUPAC Name2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCCC1CSCCN1
InChIInChI=1S/C9H16F4N2S/c10-8(11)9(12,13)6-14-2-1-7-5-16-4-3-15-7/h7-8,14-15H,1-6H2
InChIKeyYKBMWNARRPMHNZ-UHFFFAOYSA-N
XLogP1.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 103462147
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
CID 106291830
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
2,2,3,3-tetrafluoro-N-(2-morpholin-2-ylethyl)propan-1-amine
CID 106293907
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
N-(2-thiomorpholin-3-ylethyl)heptan-2-amine
CID 66422759
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
CID 114547193

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (CID 106294061) is 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is FC(F)C(F)(F)CNCCC1CSCCN1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The InChIKey is YKBMWNARRPMHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4N2S/c10-8(11)9(12,13)6-14-2-1-7-5-16-4-3-15-7/h7-8,14-15H,1-6H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine has a molecular weight of 260.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 106294061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).