ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene

C9H10F6 — CID 165395755

IUPACethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
SMILESCC.CF.Fc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5.C2H6.CH3F/c7-2-1-3(8)5(10)6(11)4(2)9;2*1-2/h1H;1-2H3;1H3
InChIKeyFLKHQWKUZBPEGZ-UHFFFAOYSA-N
MW232.17 g/mol
LogP3.99
Rot. Bonds

About ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene

ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene (PubChem CID 165395755) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Nameethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
PubChem CID165395755
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Nameethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
SMILESCC.CF.Fc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5.C2H6.CH3F/c7-2-1-3(8)5(10)6(11)4(2)9;2*1-2/h1H;1-2H3;1H3
InChIKeyFLKHQWKUZBPEGZ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 172801487
CID 172801487
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
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1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
CID 12635103
boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
CID 159111301
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582
2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
CID 155699837
CID 121362412
CID 121362412
formamide;1,2,3,4,5-pentafluorobenzene
CID 160585711
2,3,4,5-tetrafluorobenzaldehyde
CID 2734023
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene (CID 165395755) is ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene is CC.CF.Fc1cc(F)c(F)c(F)c1F.
What is the InChIKey of ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene?
The InChIKey is FLKHQWKUZBPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5.C2H6.CH3F/c7-2-1-3(8)5(10)6(11)4(2)9;2*1-2/h1H;1-2H3;1H3.
What are the key properties of ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene?
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene has a molecular weight of 232.17 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 165395755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).