benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin

C12H17F3O2Sn — CID 175260809

IUPACbenzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin
SMILESCCO[Sn](=O)CCCC(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.C4H6F3.C2H5O.O.Sn/c1-2-4-6-5-3-1;1-2-3-4(5,6)7;1-2-3;;/h1-6H;1-3H2;2H2,1H3;;/q;;-1;;+1
InChIKeyVJLJWDSTUYRSIO-UHFFFAOYSA-N
MW368.97 g/mol
LogP3.97
Rot. Bonds5

About benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin

benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin (PubChem CID 175260809) has the molecular formula C12H17F3O2Sn and a molecular weight of 368.97 g/mol. Its IUPAC name is benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin.

Molecular Properties

Compound Namebenzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin
PubChem CID175260809
Molecular FormulaC12H17F3O2Sn
Molecular Weight368.97 g/mol
Exact Mass370.02
IUPAC Namebenzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin
SMILESCCO[Sn](=O)CCCC(F)(F)F.c1ccccc1
InChIInChI=1S/C6H6.C4H6F3.C2H5O.O.Sn/c1-2-4-6-5-3-1;1-2-3-4(5,6)7;1-2-3;;/h1-6H;1-3H2;2H2,1H3;;/q;;-1;;+1
InChIKeyVJLJWDSTUYRSIO-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
CID 87370856
iron(3+);1,1,1-trifluoropentane
CID 161198772
ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin
CID 87372541
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
ethyl 3-(4,4,4-trifluorobutoxy)benzoate
CID 70828760
1,1,1-trifluorohexadecane
CID 15685316
ethyl 2-[methyl(4,4,4-trifluorobutyl)amino]acetate
CID 115518030
ethyl N-(4,4,4-trifluorobutyl)carbamate
CID 79039127
1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
CID 150443837

Frequently Asked Questions

What is the IUPAC name of benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin?
The IUPAC name of benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin (CID 175260809) is benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin.
What is the SMILES notation for benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin?
The canonical SMILES for benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin is CCO[Sn](=O)CCCC(F)(F)F.c1ccccc1.
What is the InChIKey of benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin?
The InChIKey is VJLJWDSTUYRSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H6F3.C2H5O.O.Sn/c1-2-4-6-5-3-1;1-2-3-4(5,6)7;1-2-3;;/h1-6H;1-3H2;2H2,1H3;;/q;;-1;;+1.
What are the key properties of benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin?
benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin has a molecular weight of 368.97 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin is sourced from PubChem (CID 175260809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).