2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol

C9H18F3NOS — CID 106190171

IUPAC2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCSC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-7(2,8(3,4)14)13-5-6-15-9(10,11)12/h13-14H,5-6H2,1-4H3
InChIKeyGWERLOQXRKNJFV-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.38
Rot. Bonds5

About 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol

2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol (PubChem CID 106190171) has the molecular formula C9H18F3NOS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
PubChem CID106190171
Molecular FormulaC9H18F3NOS
Molecular Weight245.31 g/mol
Exact Mass245.11
IUPAC Name2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCSC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-7(2,8(3,4)14)13-5-6-15-9(10,11)12/h13-14H,5-6H2,1-4H3
InChIKeyGWERLOQXRKNJFV-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.38
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

1-(1,1-Difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103096917
2,3-Dimethyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
CID 103993543
3-(2,2-Difluoroethylamino)-2,3-dimethylbutan-2-ol
CID 103993558
2,3-Dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
CID 103993563
1-(Dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106147811
2-Methyl-1-methylsulfanyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 106247049
2-Methyl-1-methylsulfanyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106247051
2-Methyl-1-methylsulfanyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106247332
2-Methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106293157
2-Methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106426816
2-Methyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106429248
2,3-Dimethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106429613

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol (CID 106190171) is 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol is CC(C)(O)C(C)(C)NCCSC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol?
The InChIKey is GWERLOQXRKNJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOS/c1-7(2,8(3,4)14)13-5-6-15-9(10,11)12/h13-14H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol?
2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol has a molecular weight of 245.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol is sourced from PubChem (CID 106190171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).