5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol

C9H17F3O4S — CID 103216845

IUPAC5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)COCC(F)(F)F
InChIInChI=1S/C9H17F3O4S/c1-2-17(14,15)5-3-4-8(13)6-16-7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUZLKKCSVDOUVQM-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.14
Rot. Bonds8

About 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol

5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol (PubChem CID 103216845) has the molecular formula C9H17F3O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol
PubChem CID103216845
Molecular FormulaC9H17F3O4S
Molecular Weight278.29 g/mol
Exact Mass278.08
IUPAC Name5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)COCC(F)(F)F
InChIInChI=1S/C9H17F3O4S/c1-2-17(14,15)5-3-4-8(13)6-16-7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUZLKKCSVDOUVQM-UHFFFAOYSA-N
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,5S)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol
CID 56977517
1-Propoxy-4,4-bis(trifluoromethylsulfonyl)butan-2-ol
CID 88530657
1-(2,2-Difluoro-2-methylsulfonylethoxy)octan-2-ol
CID 88860635
4-(Fluoromethylsulfonyl)-1-propoxy-4-(trifluoromethylsulfonyl)butan-2-ol
CID 117743735
1-[2-[Chloro(diethyl)-lambda4-sulfanyl]ethoxy]-4,4-bis(trifluoromethylsulfonyl)butan-2-ol
CID 126660341
1-[2-[Chloro(dimethyl)-lambda4-sulfanyl]ethoxy]-4,4-bis(trifluoromethylsulfonyl)butan-2-ol
CID 126660450
1-(2-Ethylsulfanylethoxy)-4,4-bis(trifluoromethylsulfonyl)butan-2-ol
CID 126660451
1-(2-Methylsulfanylethoxy)-4,4-bis(trifluoromethylsulfonyl)butan-2-ol
CID 126660760
(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-methylsulfonyloxolan-3-ol
CID 173323381
1-(2,2-Difluoroethoxy)-6-methylsulfonylhexan-3-ol
CID 103147755
5-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol
CID 103216681
5-Methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
CID 103473986

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol (CID 103216845) is 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol is CCS(=O)(=O)CCCC(O)COCC(F)(F)F.
What is the InChIKey of 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol?
The InChIKey is UZLKKCSVDOUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O4S/c1-2-17(14,15)5-3-4-8(13)6-16-7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol?
5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol has a molecular weight of 278.29 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol is sourced from PubChem (CID 103216845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).