2,2-difluoro-3-(thian-4-ylamino)propan-1-ol

C8H15F2NOS — CID 104857750

IUPAC2,2-difluoro-3-(thian-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCSCC1
InChIInChI=1S/C8H15F2NOS/c9-8(10,6-12)5-11-7-1-3-13-4-2-7/h7,11-12H,1-6H2
InChIKeySQWZPQUCWIFADF-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.10
Rot. Bonds4

About 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol

2,2-difluoro-3-(thian-4-ylamino)propan-1-ol (PubChem CID 104857750) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thian-4-ylamino)propan-1-ol
PubChem CID104857750
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC Name2,2-difluoro-3-(thian-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCSCC1
InChIInChI=1S/C8H15F2NOS/c9-8(10,6-12)5-11-7-1-3-13-4-2-7/h7,11-12H,1-6H2
InChIKeySQWZPQUCWIFADF-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-(thian-4-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol (CID 104857750) is 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol is OCC(F)(F)CNC1CCSCC1.
What is the InChIKey of 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol?
The InChIKey is SQWZPQUCWIFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c9-8(10,6-12)5-11-7-1-3-13-4-2-7/h7,11-12H,1-6H2.
What are the key properties of 2,2-difluoro-3-(thian-4-ylamino)propan-1-ol?
2,2-difluoro-3-(thian-4-ylamino)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-(thian-4-ylamino)propan-1-ol is sourced from PubChem (CID 104857750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).