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

C7H15F2NOS — CID 102673318

IUPAC3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol
SMILESCCSCCNCC(F)(F)CO
InChIInChI=1S/C7H15F2NOS/c1-2-12-4-3-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3
InChIKeyOBRCHGFEBJAGQT-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.96
Rot. Bonds7

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

3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol (PubChem CID 102673318) has the molecular formula C7H15F2NOS and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol
PubChem CID102673318
Molecular FormulaC7H15F2NOS
Molecular Weight199.27 g/mol
Exact Mass199.08
IUPAC Name3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol
SMILESCCSCCNCC(F)(F)CO
InChIInChI=1S/C7H15F2NOS/c1-2-12-4-3-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3
InChIKeyOBRCHGFEBJAGQT-UHFFFAOYSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.96
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

2,2-difluoro-3-[[(2R)-5-(triethyl-lambda4-sulfanyl)pent-4-yn-2-yl]amino]propan-1-ol
CID 166930499
1,1,1-Trifluoro-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964659
3-(2-Ethylsulfanylethylamino)-1,1,1-trifluoropropan-2-ol
CID 102671696
3-(2-Ethylsulfanylethylamino)-1,1-difluoropropan-2-ol
CID 102672469
2,2-Difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol
CID 102673317
2-(3-Amino-1,1,1-trifluoropropan-2-yl)sulfanylpropan-1-ol
CID 104085597
2,2-Difluoro-3-(thiolan-3-ylamino)propan-1-ol
CID 104860568
3-(3-Ethylsulfanylpropylamino)-2,2-difluoropropan-1-ol
CID 104862608
1,1-Difluoro-3-(2-methylsulfanylethylamino)propan-2-ol
CID 105645324
3-(1,1-Difluoropropan-2-ylamino)-2-methylsulfanylbutan-1-ol
CID 106158820
2-Methylsulfanyl-3-(2,2,2-trifluoroethylamino)butan-1-ol
CID 106160545
2-Methylsulfanyl-3-(3,3,3-trifluoropropylamino)butan-1-ol
CID 106160627

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol (CID 102673318) is 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol is CCSCCNCC(F)(F)CO.
What is the InChIKey of 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is OBRCHGFEBJAGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NOS/c1-2-12-4-3-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol?
3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 199.27 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 102673318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).