3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol

C10H20F3NO2S — CID 154318459

IUPAC3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol
SMILESCC(O)C(C)NCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-8(9(2)15)14-5-3-6-17(16)7-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyVSEXEUWBFLRMAF-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.44
Rot. Bonds8

About 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol

3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol (PubChem CID 154318459) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol.

Molecular Properties

Compound Name3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol
PubChem CID154318459
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC Name3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol
SMILESCC(O)C(C)NCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-8(9(2)15)14-5-3-6-17(16)7-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyVSEXEUWBFLRMAF-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.44
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

5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 102869530
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
3-(2-methylpropylsulfinyl)-N-propan-2-ylpropan-1-amine
CID 64650831
2-methyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
CID 115516246
4-[3-(4-hydroxy-3,3-dimethylbutyl)sulfinylpropylsulfinyl]-2,2-dimethylbutan-1-ol
CID 10132076
methyl 3-(3,3,3-trifluoropropylsulfinyl)butanoate
CID 66115994
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
2-(4,4,4-trifluorobutylsulfinyl)propanoic acid
CID 115517790

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol?
The IUPAC name of 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol (CID 154318459) is 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol.
What is the SMILES notation for 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol?
The canonical SMILES for 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol is CC(O)C(C)NCCCS(=O)CCC(F)(F)F.
What is the InChIKey of 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol?
The InChIKey is VSEXEUWBFLRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-8(9(2)15)14-5-3-6-17(16)7-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol?
3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol has a molecular weight of 275.34 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol is sourced from PubChem (CID 154318459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).