ethane;1-fluoro-3-methylbenzene;tetrachloromethane

C10H13Cl4F — CID 91543294

IUPACethane;1-fluoro-3-methylbenzene;tetrachloromethane
SMILESCC.Cc1cccc(F)c1.ClC(Cl)(Cl)Cl
InChIInChI=1S/C7H7F.C2H6.CCl4/c1-6-3-2-4-7(8)5-6;1-2;2-1(3,4)5/h2-5H,1H3;1-2H3;
InChIKeyFNZKGUJTQDMNCV-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.71
Rot. Bonds

About ethane;1-fluoro-3-methylbenzene;tetrachloromethane

ethane;1-fluoro-3-methylbenzene;tetrachloromethane (PubChem CID 91543294) has the molecular formula C10H13Cl4F and a molecular weight of 294.02 g/mol. Its IUPAC name is ethane;1-fluoro-3-methylbenzene;tetrachloromethane.

Molecular Properties

Compound Nameethane;1-fluoro-3-methylbenzene;tetrachloromethane
PubChem CID91543294
Molecular FormulaC10H13Cl4F
Molecular Weight294.02 g/mol
Exact Mass291.98
IUPAC Nameethane;1-fluoro-3-methylbenzene;tetrachloromethane
SMILESCC.Cc1cccc(F)c1.ClC(Cl)(Cl)Cl
InChIInChI=1S/C7H7F.C2H6.CCl4/c1-6-3-2-4-7(8)5-6;1-2;2-1(3,4)5/h2-5H,1H3;1-2H3;
InChIKeyFNZKGUJTQDMNCV-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.02
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3-methylbenzene;tetrachloromethane?
The IUPAC name of ethane;1-fluoro-3-methylbenzene;tetrachloromethane (CID 91543294) is ethane;1-fluoro-3-methylbenzene;tetrachloromethane.
What is the SMILES notation for ethane;1-fluoro-3-methylbenzene;tetrachloromethane?
The canonical SMILES for ethane;1-fluoro-3-methylbenzene;tetrachloromethane is CC.Cc1cccc(F)c1.ClC(Cl)(Cl)Cl.
What is the InChIKey of ethane;1-fluoro-3-methylbenzene;tetrachloromethane?
The InChIKey is FNZKGUJTQDMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C2H6.CCl4/c1-6-3-2-4-7(8)5-6;1-2;2-1(3,4)5/h2-5H,1H3;1-2H3;.
What are the key properties of ethane;1-fluoro-3-methylbenzene;tetrachloromethane?
ethane;1-fluoro-3-methylbenzene;tetrachloromethane has a molecular weight of 294.02 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3-methylbenzene;tetrachloromethane is sourced from PubChem (CID 91543294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).