5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol

C9H15F3OS — CID 105120652

IUPAC5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H15F3OS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8,13H,1-6H2
InChIKeyAADMEEACKYPUPS-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.83
Rot. Bonds4

About 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol

5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol (PubChem CID 105120652) has the molecular formula C9H15F3OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol
PubChem CID105120652
Molecular FormulaC9H15F3OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)C1CCSC1
InChIInChI=1S/C9H15F3OS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8,13H,1-6H2
InChIKeyAADMEEACKYPUPS-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-ol
CID 80621847
4-(2,2-Difluoroethyl)thiolan-3-ol
CID 83190726
4-(2,2,2-Trifluoroethyl)thiolan-3-ol
CID 83190934
4-(3-Fluoropropyl)thiolan-3-ol
CID 83191342
4-(3,3,3-Trifluoropropyl)thiolan-3-ol
CID 83191451
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
4-(3,3,3-Trifluoro-2-hydroxypropyl)thiolan-3-ol
CID 83191548
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-ol
CID 105104651
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-ol
CID 105104715
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
CID 105104732

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol (CID 105120652) is 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol is OC(CCCC(F)(F)F)C1CCSC1.
What is the InChIKey of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol?
The InChIKey is AADMEEACKYPUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3OS/c10-9(11,12)4-1-2-8(13)7-3-5-14-6-7/h7-8,13H,1-6H2.
What are the key properties of 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol?
5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-ol is sourced from PubChem (CID 105120652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).