dimethoxy-bis(2,3,4-trifluorobutyl)stannane

C10H18F6O2Sn — CID 87371114

IUPACdimethoxy-bis(2,3,4-trifluorobutyl)stannane
SMILESCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OC
InChIInChI=1S/2C4H6F3.2CH3O.Sn/c2*1-3(6)4(7)2-5;2*1-2;/h2*3-4H,1-2H2;2*1H3;/q;;2*-1;+2
InChIKeyXBCDJZKRZODDJB-UHFFFAOYSA-N
MW402.95 g/mol
LogP3.01
Rot. Bonds10

About dimethoxy-bis(2,3,4-trifluorobutyl)stannane

dimethoxy-bis(2,3,4-trifluorobutyl)stannane (PubChem CID 87371114) has the molecular formula C10H18F6O2Sn and a molecular weight of 402.95 g/mol. Its IUPAC name is dimethoxy-bis(2,3,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namedimethoxy-bis(2,3,4-trifluorobutyl)stannane
PubChem CID87371114
Molecular FormulaC10H18F6O2Sn
Molecular Weight402.95 g/mol
Exact Mass404.02
IUPAC Namedimethoxy-bis(2,3,4-trifluorobutyl)stannane
SMILESCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OC
InChIInChI=1S/2C4H6F3.2CH3O.Sn/c2*1-3(6)4(7)2-5;2*1-2;/h2*3-4H,1-2H2;2*1H3;/q;;2*-1;+2
InChIKeyXBCDJZKRZODDJB-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibutoxy-bis(2,3,4-trifluorobutyl)stannane
CID 87371522
2,3,4-trifluorobutane-1-thiol
CID 175124065
(2R,3S)-1,2-difluoro-3,4-dimethylpentane
CID 174248486
1-bromo-1,2,3-trifluoropropane
CID 5463736
2,3,4-trifluorobutyl dihydrogen phosphate
CID 90465448
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
1-fluoro-3-methoxypropan-2-ol
CID 53422469
1-fluoro-1-methoxyethane;1-fluoropropane
CID 90700579
(2S)-2-fluoro-1-methoxybutane
CID 149174257
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-fluoro-4-methoxy-2-propan-2-ylbutan-1-amine
CID 107443598

Frequently Asked Questions

What is the IUPAC name of dimethoxy-bis(2,3,4-trifluorobutyl)stannane?
The IUPAC name of dimethoxy-bis(2,3,4-trifluorobutyl)stannane (CID 87371114) is dimethoxy-bis(2,3,4-trifluorobutyl)stannane.
What is the SMILES notation for dimethoxy-bis(2,3,4-trifluorobutyl)stannane?
The canonical SMILES for dimethoxy-bis(2,3,4-trifluorobutyl)stannane is CO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OC.
What is the InChIKey of dimethoxy-bis(2,3,4-trifluorobutyl)stannane?
The InChIKey is XBCDJZKRZODDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6F3.2CH3O.Sn/c2*1-3(6)4(7)2-5;2*1-2;/h2*3-4H,1-2H2;2*1H3;/q;;2*-1;+2.
What are the key properties of dimethoxy-bis(2,3,4-trifluorobutyl)stannane?
dimethoxy-bis(2,3,4-trifluorobutyl)stannane has a molecular weight of 402.95 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-bis(2,3,4-trifluorobutyl)stannane is sourced from PubChem (CID 87371114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).