(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

C10H20F3NOS — CID 100751382

IUPAC(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCSC(C)(C)C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-9(2,3)16-6-5-14(4)7-8(15)10(11,12)13/h8,15H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVAHHVJVTVHIZNY-MRVPVSSYSA-N
MW259.34 g/mol
LogP2.37
Rot. Bonds5

About (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol

(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 100751382) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID100751382
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCSC(C)(C)C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-9(2,3)16-6-5-14(4)7-8(15)10(11,12)13/h8,15H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyVAHHVJVTVHIZNY-MRVPVSSYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

n:2 Fluorotelomer thio hydroxy ammonium, n=2
CID 101479853
1-(2,2-Dimethylthiomorpholin-4-yl)propan-2-ol
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1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol
CID 3696368
[2-Hydroxy-3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfanylpropyl]-trimethylazanium
CID 57709846
2,2,2-Trifluoro-1-[methyl(2-propylsulfanylethyl)amino]ethanol
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[2-Hydroxy-3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfanylpropyl]-trimethylazanium chloride
CID 157095726
(2S)-1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
CID 1484900
(2R)-1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
CID 1484901
1-(Diethylamino)-3-pentylsulfanylpropan-2-ol
CID 3040151
1-(Dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
CID 3040153
1,1,1-Trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol
CID 63902240
1,1,1-Trifluoro-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 63902455

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol (CID 100751382) is (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is CN(CCSC(C)(C)C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VAHHVJVTVHIZNY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-9(2,3)16-6-5-14(4)7-8(15)10(11,12)13/h8,15H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 259.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-tert-butylsulfanylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 100751382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).