CID 67894217

C27H31F4Sn — CID 67894217

IUPAC—
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.F
InChIInChI=1S/2C10H13.C7H4F3.FH.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;/h2*4-8H,1H2,2-3H3;1-2,4-5H;1H;
InChIKeyXUUARMQCQGTBJK-UHFFFAOYSA-N
MW550.25 g/mol
LogP7.52
Rot. Bonds7

About CID 67894217

CID 67894217 (PubChem CID 67894217) has the molecular formula C27H31F4Sn and a molecular weight of 550.25 g/mol.

Molecular Properties

Compound NameCID 67894217
PubChem CID67894217
Molecular FormulaC27H31F4Sn
Molecular Weight550.25 g/mol
Exact Mass551.14
IUPAC Name—
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.F
InChIInChI=1S/2C10H13.C7H4F3.FH.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;/h2*4-8H,1H2,2-3H3;1-2,4-5H;1H;
InChIKeyXUUARMQCQGTBJK-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.25
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 67894217?
The IUPAC name of CID 67894217 (CID 67894217) is not available.
What is the SMILES notation for CID 67894217?
The canonical SMILES for CID 67894217 is CC(C)(C[Sn](CC(C)(C)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.F.
What is the InChIKey of CID 67894217?
The InChIKey is XUUARMQCQGTBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13.C7H4F3.FH.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;/h2*4-8H,1H2,2-3H3;1-2,4-5H;1H;.
What are the key properties of CID 67894217?
CID 67894217 has a molecular weight of 550.25 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67894217 is sourced from PubChem (CID 67894217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).