2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine

C13H18FNS — CID 114834375

IUPAC2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(C)(Cc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNS/c1-12(2)9-16-13(3,15-12)8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3
InChIKeyHXPDPKLTVWOSAJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.20
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine

2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine (PubChem CID 114834375) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
PubChem CID114834375
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(C)(Cc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNS/c1-12(2)9-16-13(3,15-12)8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3
InChIKeyHXPDPKLTVWOSAJ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
CID 114834372
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
3-chloro-3-[(3-fluorophenyl)methyl]thietane
CID 123208925
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 117269758
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 114834972
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
CID 175659373

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine (CID 114834375) is 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine is CC1(C)CSC(C)(Cc2cccc(F)c2)N1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine?
The InChIKey is HXPDPKLTVWOSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-12(2)9-16-13(3,15-12)8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine?
2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine has a molecular weight of 239.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 114834375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).