2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol

C8H15F2NOS — CID 102673317

IUPAC2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol
SMILESCC1SCCC1NCC(F)(F)CO
InChIInChI=1S/C8H15F2NOS/c1-6-7(2-3-13-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3
InChIKeyAWYHESIZJHYQPO-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.10
Rot. Bonds4

About 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol

2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol (PubChem CID 102673317) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol
PubChem CID102673317
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC Name2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol
SMILESCC1SCCC1NCC(F)(F)CO
InChIInChI=1S/C8H15F2NOS/c1-6-7(2-3-13-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3
InChIKeyAWYHESIZJHYQPO-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol (CID 102673317) is 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol is CC1SCCC1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol?
The InChIKey is AWYHESIZJHYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c1-6-7(2-3-13-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol?
2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 102673317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).