CID 135023849

C10H13F3OSn2+2 — CID 135023849

IUPAC—
SMILESOC(/C([Sn+])=C(/[Sn+])C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H13F3O.2Sn/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8;;/h8-9,14H,1-5H2;;/q;2*+1
InChIKeyGBZSADRQJYYIRJ-UHFFFAOYSA-N
MW443.63 g/mol
LogP2.04
Rot. Bonds2

About CID 135023849

CID 135023849 (PubChem CID 135023849) has the molecular formula C10H13F3OSn2+2 and a molecular weight of 443.63 g/mol.

Molecular Properties

Compound NameCID 135023849
PubChem CID135023849
Molecular FormulaC10H13F3OSn2+2
Molecular Weight443.63 g/mol
Exact Mass445.90
IUPAC Name—
SMILESOC(/C([Sn+])=C(/[Sn+])C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H13F3O.2Sn/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8;;/h8-9,14H,1-5H2;;/q;2*+1
InChIKeyGBZSADRQJYYIRJ-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 135023849?
The IUPAC name of CID 135023849 (CID 135023849) is not available.
What is the SMILES notation for CID 135023849?
The canonical SMILES for CID 135023849 is OC(/C([Sn+])=C(/[Sn+])C(F)(F)F)C1CCCCC1.
What is the InChIKey of CID 135023849?
The InChIKey is GBZSADRQJYYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O.2Sn/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8;;/h8-9,14H,1-5H2;;/q;2*+1.
What are the key properties of CID 135023849?
CID 135023849 has a molecular weight of 443.63 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135023849 is sourced from PubChem (CID 135023849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).