decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin

C14H23F7O2Sn — CID 87371739

IUPACdecoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
SMILESCCCCCCCCCCO[Sn](=O)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H21O.C4H2F7.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-1-3(8,9)4(10,11)2(6)7;;/h2-10H2,1H3;1-2H;;/q-1;;;+1
InChIKeySYMFEMYDYLBAPC-UHFFFAOYSA-N
MW475.03 g/mol
LogP5.48
Rot. Bonds14

About decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin

decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin (PubChem CID 87371739) has the molecular formula C14H23F7O2Sn and a molecular weight of 475.03 g/mol. Its IUPAC name is decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin.

Molecular Properties

Compound Namedecoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
PubChem CID87371739
Molecular FormulaC14H23F7O2Sn
Molecular Weight475.03 g/mol
Exact Mass476.06
IUPAC Namedecoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
SMILESCCCCCCCCCCO[Sn](=O)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H21O.C4H2F7.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-1-3(8,9)4(10,11)2(6)7;;/h2-10H2,1H3;1-2H;;/q-1;;;+1
InChIKeySYMFEMYDYLBAPC-UHFFFAOYSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.03
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,2,2,3,3,4,4-heptafluorobutyl-octoxy-oxotin
CID 87372419
nonoxy-oxo-(2,3,4-trifluorobutyl)tin
CID 87370940
1-O-heptyl 3-O-(2,2,3,3,4,4,5,5-octafluoropentyl) propanedioate
CID 91741686
6-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 1-O-octyl hexanedioate
CID 91714187
1-O-hexyl 10-O-(2,2,3,3,4,4,5,5-octafluoropentyl) decanedioate
CID 91744719
hexyl 2,3,3-trifluoro-2-hydroxypropanoate
CID 54537102
nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
methyl-octoxy-oxotin
CID 87374860
4-O-[3,3,4,5,5,6,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)hexyl] 1-O-hexyl 2-ethylbutanedioate
CID 21049974
5-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 1-O-pentyl pentanedioate
CID 91742791
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
1-O-heptyl 3-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 2,2-diethylpropanedioate
CID 91693711

Frequently Asked Questions

What is the IUPAC name of decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin?
The IUPAC name of decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin (CID 87371739) is decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin.
What is the SMILES notation for decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin?
The canonical SMILES for decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin is CCCCCCCCCCO[Sn](=O)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin?
The InChIKey is SYMFEMYDYLBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.C4H2F7.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-1-3(8,9)4(10,11)2(6)7;;/h2-10H2,1H3;1-2H;;/q-1;;;+1.
What are the key properties of decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin?
decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin has a molecular weight of 475.03 g/mol, XLogP of 5.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin is sourced from PubChem (CID 87371739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).