CID 171374834

C12H22F6Sn — CID 171374834

IUPAC—
SMILESCCCC.CCCC.FC=C(F)F.FC=C(F)F.[Sn]
InChIInChI=1S/2C4H10.2C2HF3.Sn/c2*1-3-4-2;2*3-1-2(4)5;/h2*3-4H2,1-2H3;2*1H;
InChIKeyILOFNKLRVQNFMJ-UHFFFAOYSA-N
MW399.01 g/mol
LogP6.62
Rot. Bonds2

About CID 171374834

CID 171374834 (PubChem CID 171374834) has the molecular formula C12H22F6Sn and a molecular weight of 399.01 g/mol.

Molecular Properties

Compound NameCID 171374834
PubChem CID171374834
Molecular FormulaC12H22F6Sn
Molecular Weight399.01 g/mol
Exact Mass400.06
IUPAC Name—
SMILESCCCC.CCCC.FC=C(F)F.FC=C(F)F.[Sn]
InChIInChI=1S/2C4H10.2C2HF3.Sn/c2*1-3-4-2;2*3-1-2(4)5;/h2*3-4H2,1-2H3;2*1H;
InChIKeyILOFNKLRVQNFMJ-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.01
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 171374834?
The IUPAC name of CID 171374834 (CID 171374834) is not available.
What is the SMILES notation for CID 171374834?
The canonical SMILES for CID 171374834 is CCCC.CCCC.FC=C(F)F.FC=C(F)F.[Sn].
What is the InChIKey of CID 171374834?
The InChIKey is ILOFNKLRVQNFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.2C2HF3.Sn/c2*1-3-4-2;2*3-1-2(4)5;/h2*3-4H2,1-2H3;2*1H;.
What are the key properties of CID 171374834?
CID 171374834 has a molecular weight of 399.01 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374834 is sourced from PubChem (CID 171374834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).