2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol

C19H18F3NO4S — CID 59492568

IUPAC2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESO=S1(=O)CCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO4S/c20-19(21,22)18(24)16-5-2-1-4-14(16)15-7-6-13(12-17(15)18)27-10-9-23-8-3-11-28(23,25)26/h1-2,4-7,12,24H,3,8-11H2
InChIKeyVHFIHKUPYQHHMT-UHFFFAOYSA-N
MW413.42 g/mol
LogP2.88
Rot. Bonds4

About 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492568) has the molecular formula C19H18F3NO4S and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492568
Molecular FormulaC19H18F3NO4S
Molecular Weight413.42 g/mol
Exact Mass413.09
IUPAC Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESO=S1(=O)CCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO4S/c20-19(21,22)18(24)16-5-2-1-4-14(16)15-7-6-13(12-17(15)18)27-10-9-23-8-3-11-28(23,25)26/h1-2,4-7,12,24H,3,8-11H2
InChIKeyVHFIHKUPYQHHMT-UHFFFAOYSA-N
XLogP2.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
CID 59492829
1-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493183
(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
CID 91667398
(3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
CID 91667399
2-[2-(Dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492905
3-[2-[9-(1,1-Difluoroethyl)-9-hydroxyfluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 118119322
(3R)-3-[4-[(1R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-1-methylsulfonylpyrrolidine
CID 121420878
9-[Difluoro(phosphanyl)methyl]-2-[2-(dimethylamino)ethoxy]fluoren-9-ol
CID 143972674
[4-[6-hydroxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenyl] methanesulfonate
CID 19603570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol (CID 59492568) is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol is O=S1(=O)CCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is VHFIHKUPYQHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4S/c20-19(21,22)18(24)16-5-2-1-4-14(16)15-7-6-13(12-17(15)18)27-10-9-23-8-3-11-28(23,25)26/h1-2,4-7,12,24H,3,8-11H2.
What are the key properties of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 413.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).