2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

C10H20F3NOS — CID 116615640

IUPAC2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2)6-9(3,15)7-14-4-5-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyOKYDDRWDUSQAEZ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.63
Rot. Bonds7

About 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (PubChem CID 116615640) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
PubChem CID116615640
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2)6-9(3,15)7-14-4-5-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3
InChIKeyOKYDDRWDUSQAEZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.63
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

5,5,5-Trifluoro-2-methyl-1-(propylamino)pentan-2-ol
CID 66037473
1-(Ethylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037935
5,5,5-Trifluoro-2-methyl-1-(2-methylpropylamino)pentan-2-ol
CID 66039667
2,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 66171657
1-(2,2-Difluoroethylamino)-2,4-dimethylpentan-2-ol
CID 66174062
2,4-Dimethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
CID 66174463
2-Methyl-1-methylsulfanyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 106247049
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106286211
2-Methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
2-Methyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
CID 106292743
1-(2,2-Difluoroethylamino)-2-methylpentan-2-ol
CID 106292920
2-Methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106293157

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (CID 116615640) is 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is CC(C)CC(C)(O)CNCCSC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The InChIKey is OKYDDRWDUSQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-8(2)6-9(3,15)7-14-4-5-16-10(11,12)13/h8,14-15H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol has a molecular weight of 259.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 116615640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).