dipropoxy-bis(4,4,4-trifluorobutyl)stannane

C14H26F6O2Sn — CID 87371066

IUPACdipropoxy-bis(4,4,4-trifluorobutyl)stannane
SMILESCCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCC
InChIInChI=1S/2C4H6F3.2C3H7O.Sn/c2*1-2-3-4(5,6)7;2*1-2-3-4;/h2*1-3H2;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyKOYXGVQXLAMGQI-UHFFFAOYSA-N
MW459.06 g/mol
LogP5.97
Rot. Bonds12

About dipropoxy-bis(4,4,4-trifluorobutyl)stannane

dipropoxy-bis(4,4,4-trifluorobutyl)stannane (PubChem CID 87371066) has the molecular formula C14H26F6O2Sn and a molecular weight of 459.06 g/mol. Its IUPAC name is dipropoxy-bis(4,4,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namedipropoxy-bis(4,4,4-trifluorobutyl)stannane
PubChem CID87371066
Molecular FormulaC14H26F6O2Sn
Molecular Weight459.06 g/mol
Exact Mass460.09
IUPAC Namedipropoxy-bis(4,4,4-trifluorobutyl)stannane
SMILESCCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCC
InChIInChI=1S/2C4H6F3.2C3H7O.Sn/c2*1-2-3-4(5,6)7;2*1-2-3-4;/h2*1-3H2;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyKOYXGVQXLAMGQI-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.06
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
dioctyl(dipropoxy)stannane
CID 87371484
dibutyl-di(nonoxy)stannane
CID 87642820
iron(3+);1,1,1-trifluoropentane
CID 161198772
1,1,1-trifluorohexadecane
CID 15685316
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
dibutyl-bis(3,3,3-trifluoropropyl)stannane
CID 154327480
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235

Frequently Asked Questions

What is the IUPAC name of dipropoxy-bis(4,4,4-trifluorobutyl)stannane?
The IUPAC name of dipropoxy-bis(4,4,4-trifluorobutyl)stannane (CID 87371066) is dipropoxy-bis(4,4,4-trifluorobutyl)stannane.
What is the SMILES notation for dipropoxy-bis(4,4,4-trifluorobutyl)stannane?
The canonical SMILES for dipropoxy-bis(4,4,4-trifluorobutyl)stannane is CCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCC.
What is the InChIKey of dipropoxy-bis(4,4,4-trifluorobutyl)stannane?
The InChIKey is KOYXGVQXLAMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6F3.2C3H7O.Sn/c2*1-2-3-4(5,6)7;2*1-2-3-4;/h2*1-3H2;2*2-3H2,1H3;/q;;2*-1;+2.
What are the key properties of dipropoxy-bis(4,4,4-trifluorobutyl)stannane?
dipropoxy-bis(4,4,4-trifluorobutyl)stannane has a molecular weight of 459.06 g/mol, XLogP of 5.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxy-bis(4,4,4-trifluorobutyl)stannane is sourced from PubChem (CID 87371066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).