benzene;ethane;molecular fluorine

C8H12F8 — CID 160701586

IUPACbenzene;ethane;molecular fluorine
SMILESCC.FF.FF.FF.FF.c1ccccc1
InChIInChI=1S/C6H6.C2H6.4F2/c1-2-4-6-5-3-1;5*1-2/h1-6H;1-2H3;;;;
InChIKeyRQRKYWFYXYYJHB-UHFFFAOYSA-N
MW260.17 g/mol
LogP6.07
Rot. Bonds

About benzene;ethane;molecular fluorine

benzene;ethane;molecular fluorine (PubChem CID 160701586) has the molecular formula C8H12F8 and a molecular weight of 260.17 g/mol. Its IUPAC name is benzene;ethane;molecular fluorine.

Molecular Properties

Compound Namebenzene;ethane;molecular fluorine
PubChem CID160701586
Molecular FormulaC8H12F8
Molecular Weight260.17 g/mol
Exact Mass260.08
IUPAC Namebenzene;ethane;molecular fluorine
SMILESCC.FF.FF.FF.FF.c1ccccc1
InChIInChI=1S/C6H6.C2H6.4F2/c1-2-4-6-5-3-1;5*1-2/h1-6H;1-2H3;;;;
InChIKeyRQRKYWFYXYYJHB-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.17
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;molecular fluorine?
The IUPAC name of benzene;ethane;molecular fluorine (CID 160701586) is benzene;ethane;molecular fluorine.
What is the SMILES notation for benzene;ethane;molecular fluorine?
The canonical SMILES for benzene;ethane;molecular fluorine is CC.FF.FF.FF.FF.c1ccccc1.
What is the InChIKey of benzene;ethane;molecular fluorine?
The InChIKey is RQRKYWFYXYYJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H6.4F2/c1-2-4-6-5-3-1;5*1-2/h1-6H;1-2H3;;;;.
What are the key properties of benzene;ethane;molecular fluorine?
benzene;ethane;molecular fluorine has a molecular weight of 260.17 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;molecular fluorine is sourced from PubChem (CID 160701586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).