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

C8H15F2NOS — CID 102672468

IUPAC1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
SMILESCC1SCCC1NCC(O)C(F)F
InChIInChI=1S/C8H15F2NOS/c1-5-6(2-3-13-5)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyPNESYGUVUAEPLK-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.10
Rot. Bonds4

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

1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol (PubChem CID 102672468) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
PubChem CID102672468
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC Name1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
SMILESCC1SCCC1NCC(O)C(F)F
InChIInChI=1S/C8H15F2NOS/c1-5-6(2-3-13-5)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyPNESYGUVUAEPLK-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 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol (CID 102672468) is 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol is CC1SCCC1NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The InChIKey is PNESYGUVUAEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c1-5-6(2-3-13-5)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-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 1,1-difluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 102672468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).