3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol

C7H14F3NOS — CID 102671696

IUPAC3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCSCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-2-13-4-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyQOHZXDJJNVOXER-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.25
Rot. Bonds6

About 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol

3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 102671696) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID102671696
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCSCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-2-13-4-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyQOHZXDJJNVOXER-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,1,1-trifluoro-3-thiomorpholin-4-ium-4-ylpropan-2-ol
CID 6987123
1,1,1-Trifluoro-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 61529703
1,1,1-Trifluoro-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63900449
1,1,1-Trifluoro-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 63901893
1,1,1-Trifluoro-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964659
1,1,1-Trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966493
1,1,1-Trifluoro-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584690
1,1,1-Trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
CID 102671695
1,1-Difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
CID 102672468
3-(2-Ethylsulfanylethylamino)-1,1-difluoropropan-2-ol
CID 102672469
3-(2-Ethylsulfanylethylamino)-2,2-difluoropropan-1-ol
CID 102673318
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 102698064

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol (CID 102671696) is 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol is CCSCCNCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QOHZXDJJNVOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-2-13-4-3-11-5-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol?
3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 217.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 102671696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).