heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane

C19H27F15OSn — CID 87372400

IUPACheptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCCCCO[Sn](C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C7H15O.3C4H4F5.Sn/c1-2-3-4-5-6-7-8;3*1-2(5)4(8,9)3(6)7;/h2-7H2,1H3;3*2H,1H3;/q-1;;;;+1
InChIKeyFBNOYUZLGBHTLO-UHFFFAOYSA-N
MW675.10 g/mol
LogP8.42
Rot. Bonds16

About heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane

heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane (PubChem CID 87372400) has the molecular formula C19H27F15OSn and a molecular weight of 675.10 g/mol. Its IUPAC name is heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane.

Molecular Properties

Compound Nameheptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
PubChem CID87372400
Molecular FormulaC19H27F15OSn
Molecular Weight675.10 g/mol
Exact Mass676.08
IUPAC Nameheptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCCCCCCCO[Sn](C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C7H15O.3C4H4F5.Sn/c1-2-3-4-5-6-7-8;3*1-2(5)4(8,9)3(6)7;/h2-7H2,1H3;3*2H,1H3;/q-1;;;;+1
InChIKeyFBNOYUZLGBHTLO-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.10
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23115024
butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
1-(3,3,3-trifluoro-2-methylpropoxy)octane
CID 22002907
1-(1-fluoroethoxy)tridecane
CID 175410550
1-(difluoromethoxy)decane
CID 14400535
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
CID 87370851
3-dodecoxy-1,1,2-trifluorobutan-1-ol
CID 88524929
trioctyl(pentoxy)stannane
CID 87643879
decoxy-[decoxy(dimethyl)stannyl]oxy-dimethylstannane
CID 23073861
dibutyl-di(nonoxy)stannane
CID 87642820

Frequently Asked Questions

What is the IUPAC name of heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane?
The IUPAC name of heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane (CID 87372400) is heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane.
What is the SMILES notation for heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane?
The canonical SMILES for heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane is CCCCCCCO[Sn](C(F)(F)C(F)(F)C(C)F)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane?
The InChIKey is FBNOYUZLGBHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.3C4H4F5.Sn/c1-2-3-4-5-6-7-8;3*1-2(5)4(8,9)3(6)7;/h2-7H2,1H3;3*2H,1H3;/q-1;;;;+1.
What are the key properties of heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane?
heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane has a molecular weight of 675.10 g/mol, XLogP of 8.42, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane is sourced from PubChem (CID 87372400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).