CID 136881006

C16H11F6GeO2 — CID 136881006

IUPAC—
SMILESCC(=O)O[Ge](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F6GeO2/c1-10(24)25-23(13-6-2-11(3-7-13)15(17,18)19)14-8-4-12(5-9-14)16(20,21)22/h2-9H,1H3
InChIKeyIDKXLKLYFQYNCD-UHFFFAOYSA-N
MW421.86 g/mol
LogP3.39
Rot. Bonds3

About CID 136881006

CID 136881006 (PubChem CID 136881006) has the molecular formula C16H11F6GeO2 and a molecular weight of 421.86 g/mol.

Molecular Properties

Compound NameCID 136881006
PubChem CID136881006
Molecular FormulaC16H11F6GeO2
Molecular Weight421.86 g/mol
Exact Mass422.99
IUPAC Name—
SMILESCC(=O)O[Ge](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F6GeO2/c1-10(24)25-23(13-6-2-11(3-7-13)15(17,18)19)14-8-4-12(5-9-14)16(20,21)22/h2-9H,1H3
InChIKeyIDKXLKLYFQYNCD-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 136881006?
The IUPAC name of CID 136881006 (CID 136881006) is not available.
What is the SMILES notation for CID 136881006?
The canonical SMILES for CID 136881006 is CC(=O)O[Ge](c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of CID 136881006?
The InChIKey is IDKXLKLYFQYNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6GeO2/c1-10(24)25-23(13-6-2-11(3-7-13)15(17,18)19)14-8-4-12(5-9-14)16(20,21)22/h2-9H,1H3.
What are the key properties of CID 136881006?
CID 136881006 has a molecular weight of 421.86 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136881006 is sourced from PubChem (CID 136881006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).