N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)

C14H11AlF5N+2 — CID 172730033

IUPACN,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)
SMILESCN(C)c1ccccc1.Fc1c(F)c(F)c([Al+2])c(F)c1F
InChIInChI=1S/C8H11N.C6F5.Al/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;/h3-7H,1-2H3;;/q;;+2
InChIKeyHQZYYUCRBQTKCK-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.93
Rot. Bonds1

About N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)

N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+) (PubChem CID 172730033) has the molecular formula C14H11AlF5N+2 and a molecular weight of 315.22 g/mol. Its IUPAC name is N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+).

Molecular Properties

Compound NameN,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)
PubChem CID172730033
Molecular FormulaC14H11AlF5N+2
Molecular Weight315.22 g/mol
Exact Mass315.06
IUPAC NameN,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)
SMILESCN(C)c1ccccc1.Fc1c(F)c(F)c([Al+2])c(F)c1F
InChIInChI=1S/C8H11N.C6F5.Al/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;/h3-7H,1-2H3;;/q;;+2
InChIKeyHQZYYUCRBQTKCK-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline
CID 87670514
N,N-dimethylaniline;methanol
CID 143205399
boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
CID 161264040
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)?
The IUPAC name of N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+) (CID 172730033) is N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+).
What is the SMILES notation for N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)?
The canonical SMILES for N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+) is CN(C)c1ccccc1.Fc1c(F)c(F)c([Al+2])c(F)c1F.
What is the InChIKey of N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)?
The InChIKey is HQZYYUCRBQTKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6F5.Al/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;/h3-7H,1-2H3;;/q;;+2.
What are the key properties of N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)?
N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+) has a molecular weight of 315.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+) is sourced from PubChem (CID 172730033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).