2-fluoro-3-(thiolan-2-yl)propan-1-ol

C7H13FOS — CID 105432508

IUPAC2-fluoro-3-(thiolan-2-yl)propan-1-ol
SMILESOCC(F)CC1CCCS1
InChIInChI=1S/C7H13FOS/c8-6(5-9)4-7-2-1-3-10-7/h6-7,9H,1-5H2
InChIKeyORFCHBAMLMCANX-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.60
Rot. Bonds3

About 2-fluoro-3-(thiolan-2-yl)propan-1-ol

2-fluoro-3-(thiolan-2-yl)propan-1-ol (PubChem CID 105432508) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is 2-fluoro-3-(thiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(thiolan-2-yl)propan-1-ol
PubChem CID105432508
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name2-fluoro-3-(thiolan-2-yl)propan-1-ol
SMILESOCC(F)CC1CCCS1
InChIInChI=1S/C7H13FOS/c8-6(5-9)4-7-2-1-3-10-7/h6-7,9H,1-5H2
InChIKeyORFCHBAMLMCANX-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(thiolan-2-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(thiolan-2-yl)propan-1-ol (CID 105432508) is 2-fluoro-3-(thiolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(thiolan-2-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(thiolan-2-yl)propan-1-ol is OCC(F)CC1CCCS1.
What is the InChIKey of 2-fluoro-3-(thiolan-2-yl)propan-1-ol?
The InChIKey is ORFCHBAMLMCANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c8-6(5-9)4-7-2-1-3-10-7/h6-7,9H,1-5H2.
What are the key properties of 2-fluoro-3-(thiolan-2-yl)propan-1-ol?
2-fluoro-3-(thiolan-2-yl)propan-1-ol has a molecular weight of 164.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(thiolan-2-yl)propan-1-ol is sourced from PubChem (CID 105432508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).