1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C8H17F2NOS — CID 103096917

IUPAC1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC(C)C(F)F
InChIInChI=1S/C8H17F2NOS/c1-6(7(9)10)11-4-8(2,12)5-13-3/h6-7,11-12H,4-5H2,1-3H3
InChIKeyCIEUFRZXKCOKOQ-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.34
Rot. Bonds6

About 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103096917) has the molecular formula C8H17F2NOS and a molecular weight of 213.29 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103096917
Molecular FormulaC8H17F2NOS
Molecular Weight213.29 g/mol
Exact Mass213.10
IUPAC Name1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC(C)C(F)F
InChIInChI=1S/C8H17F2NOS/c1-6(7(9)10)11-4-8(2,12)5-13-3/h6-7,11-12H,4-5H2,1-3H3
InChIKeyCIEUFRZXKCOKOQ-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

2-Methyl-1-({3-[(RS)-(3,3,3-trifluoropropyl)sulphinyl]propyl}amino)propan-2-ol
CID 86696805
1,1,1-Trifluoro-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966493
1-(Dimethylamino)-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106147811
2,3-Dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106190171
1-(2-Fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
2-Methyl-1-methylsulfanyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 106246915
2-Methyl-1-methylsulfanyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
CID 106246937
1-(3-Fluoropropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246949
2-Methyl-1-methylsulfanyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 106246965
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
1-(2,2-Difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247103

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 103096917) is 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC(C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is CIEUFRZXKCOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NOS/c1-6(7(9)10)11-4-8(2,12)5-13-3/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 213.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103096917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).