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

C7H13FOS — CID 105432512

IUPAC1-fluoro-1-(thiolan-2-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCS1
InChIInChI=1S/C7H13FOS/c1-5(9)7(8)6-3-2-4-10-6/h5-7,9H,2-4H2,1H3
InChIKeyPSUPMEQWFLLUKV-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.60
Rot. Bonds2

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

1-fluoro-1-(thiolan-2-yl)propan-2-ol (PubChem CID 105432512) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is 1-fluoro-1-(thiolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(thiolan-2-yl)propan-2-ol
PubChem CID105432512
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name1-fluoro-1-(thiolan-2-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCS1
InChIInChI=1S/C7H13FOS/c1-5(9)7(8)6-3-2-4-10-6/h5-7,9H,2-4H2,1H3
InChIKeyPSUPMEQWFLLUKV-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

3-Hydroxy-2-hydroxymethyl-5-(trifluoromethyl)thiolane
CID 129877446
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 11491962
1-(4-Fluorooctan-2-ylsulfanyl)hexan-2-ol
CID 18940175
(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
CID 58320976
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 59796297
(3S,4S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 68330366
4-Fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 72982800
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
CID 89349089
(3S)-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 117681363
(4-Fluoro-5-methylthiolan-2-yl)methanol
CID 144573148
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 146406649
(2R,3S,4S)-4-fluoro-2-(2-hydroxyethyl)thiolan-3-ol
CID 146406675

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(thiolan-2-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(thiolan-2-yl)propan-2-ol (CID 105432512) is 1-fluoro-1-(thiolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(thiolan-2-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(thiolan-2-yl)propan-2-ol is CC(O)C(F)C1CCCS1.
What is the InChIKey of 1-fluoro-1-(thiolan-2-yl)propan-2-ol?
The InChIKey is PSUPMEQWFLLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c1-5(9)7(8)6-3-2-4-10-6/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-fluoro-1-(thiolan-2-yl)propan-2-ol?
1-fluoro-1-(thiolan-2-yl)propan-2-ol has a molecular weight of 164.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(thiolan-2-yl)propan-2-ol is sourced from PubChem (CID 105432512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).