2,2-difluoro-2-(thiolan-3-yl)ethanol

C6H10F2OS — CID 105433784

IUPAC2,2-difluoro-2-(thiolan-3-yl)ethanol
SMILESOCC(F)(F)C1CCSC1
InChIInChI=1S/C6H10F2OS/c7-6(8,4-9)5-1-2-10-3-5/h5,9H,1-4H2
InChIKeyNBRGRRSQPKYLJC-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.37
Rot. Bonds2

About 2,2-difluoro-2-(thiolan-3-yl)ethanol

2,2-difluoro-2-(thiolan-3-yl)ethanol (PubChem CID 105433784) has the molecular formula C6H10F2OS and a molecular weight of 168.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(thiolan-3-yl)ethanol
PubChem CID105433784
Molecular FormulaC6H10F2OS
Molecular Weight168.21 g/mol
Exact Mass168.04
IUPAC Name2,2-difluoro-2-(thiolan-3-yl)ethanol
SMILESOCC(F)(F)C1CCSC1
InChIInChI=1S/C6H10F2OS/c7-6(8,4-9)5-1-2-10-3-5/h5,9H,1-4H2
InChIKeyNBRGRRSQPKYLJC-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(thiolan-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(thiolan-3-yl)ethanol (CID 105433784) is 2,2-difluoro-2-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(thiolan-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(thiolan-3-yl)ethanol is OCC(F)(F)C1CCSC1.
What is the InChIKey of 2,2-difluoro-2-(thiolan-3-yl)ethanol?
The InChIKey is NBRGRRSQPKYLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2OS/c7-6(8,4-9)5-1-2-10-3-5/h5,9H,1-4H2.
What are the key properties of 2,2-difluoro-2-(thiolan-3-yl)ethanol?
2,2-difluoro-2-(thiolan-3-yl)ethanol has a molecular weight of 168.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(thiolan-3-yl)ethanol is sourced from PubChem (CID 105433784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).