(3,3-difluorothiolan-2-yl)methanol

C5H8F2OS — CID 78063983

IUPAC(3,3-difluorothiolan-2-yl)methanol
SMILESOCC1SCCC1(F)F
InChIInChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2
InChIKeyFCVNRFJEJUXTHQ-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.12
Rot. Bonds1

About (3,3-difluorothiolan-2-yl)methanol

(3,3-difluorothiolan-2-yl)methanol (PubChem CID 78063983) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is (3,3-difluorothiolan-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorothiolan-2-yl)methanol
PubChem CID78063983
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name(3,3-difluorothiolan-2-yl)methanol
SMILESOCC1SCCC1(F)F
InChIInChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2
InChIKeyFCVNRFJEJUXTHQ-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorothiolan-2-yl)methanol?
The IUPAC name of (3,3-difluorothiolan-2-yl)methanol (CID 78063983) is (3,3-difluorothiolan-2-yl)methanol.
What is the SMILES notation for (3,3-difluorothiolan-2-yl)methanol?
The canonical SMILES for (3,3-difluorothiolan-2-yl)methanol is OCC1SCCC1(F)F.
What is the InChIKey of (3,3-difluorothiolan-2-yl)methanol?
The InChIKey is FCVNRFJEJUXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2OS/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2.
What are the key properties of (3,3-difluorothiolan-2-yl)methanol?
(3,3-difluorothiolan-2-yl)methanol has a molecular weight of 154.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorothiolan-2-yl)methanol is sourced from PubChem (CID 78063983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).