argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride

C11H12ArF6 — CID 158257031

IUPACargon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
SMILESCCCCCc1c(F)c(F)c(F)c(F)c1F.F.[Ar]
InChIInChI=1S/C11H11F5.Ar.FH/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13;;/h2-5H2,1H3;;1H
InChIKeyGHKGFPPXFAMBMY-UHFFFAOYSA-N
MW298.15 g/mol
LogP4.27
Rot. Bonds4

About argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride

argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride (PubChem CID 158257031) has the molecular formula C11H12ArF6 and a molecular weight of 298.15 g/mol. Its IUPAC name is argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride.

Molecular Properties

Compound Nameargon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
PubChem CID158257031
Molecular FormulaC11H12ArF6
Molecular Weight298.15 g/mol
Exact Mass298.05
IUPAC Nameargon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
SMILESCCCCCc1c(F)c(F)c(F)c(F)c1F.F.[Ar]
InChIInChI=1S/C11H11F5.Ar.FH/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13;;/h2-5H2,1H3;;1H
InChIKeyGHKGFPPXFAMBMY-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
2,3,4,5-tetrafluoro-6-heptylbenzoic acid
CID 22465875
1-[11-(1,1-dimethoxypropyl)nonadecyl]-2,3,4,5,6-pentafluorobenzene
CID 151173394
1,2,3,4,5-pentafluoro-6-[5-[tri(propan-2-yloxy)methyl]tridecyl]benzene
CID 150781064
1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
CID 151908395
1,1-dimethoxy-2-octyl-12-(2,3,4,5,6-pentafluorophenyl)dodecan-1-ol
CID 150937440
1,2,3,4,5-pentafluoro-6-[11-(tripropoxymethyl)nonadecyl]benzene
CID 172758790
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
4-(2,3,5,6-tetrafluoro-4-pentylphenyl)aniline
CID 15938619
1,1-diethoxy-2-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]decan-1-ol
CID 151896804

Frequently Asked Questions

What is the IUPAC name of argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride?
The IUPAC name of argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride (CID 158257031) is argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride.
What is the SMILES notation for argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride?
The canonical SMILES for argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride is CCCCCc1c(F)c(F)c(F)c(F)c1F.F.[Ar].
What is the InChIKey of argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride?
The InChIKey is GHKGFPPXFAMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5.Ar.FH/c1-2-3-4-5-6-7(12)9(14)11(16)10(15)8(6)13;;/h2-5H2,1H3;;1H.
What are the key properties of argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride?
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride has a molecular weight of 298.15 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride is sourced from PubChem (CID 158257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).