(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane

C19H7AlF10O — CID 177045953

IUPAC(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
SMILESCOc1cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C7H5F2O.2C6HF4.Al/c1-10-7-3-5(8)2-6(9)4-7;2*7-3-1-4(8)6(10)2-5(3)9;/h3-4H,1H3;2*1H;
InChIKeyNLJQNEIRJLIRIE-UHFFFAOYSA-N
MW468.23 g/mol
LogP3.60
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane

(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane (PubChem CID 177045953) has the molecular formula C19H7AlF10O and a molecular weight of 468.23 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
PubChem CID177045953
Molecular FormulaC19H7AlF10O
Molecular Weight468.23 g/mol
Exact Mass468.02
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
SMILESCOc1cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C7H5F2O.2C6HF4.Al/c1-10-7-3-5(8)2-6(9)4-7;2*7-3-1-4(8)6(10)2-5(3)9;/h3-4H,1H3;2*1H;
InChIKeyNLJQNEIRJLIRIE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
CID 177045557
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
CID 177045857
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
CID 177045878
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799527
2-(1-chloro-2-methylbutyl)-1,3-difluoro-5-methoxybenzene
CID 63427268
N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84777076
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
CID 130064686
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane (CID 177045953) is (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane is COc1cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane?
The InChIKey is NLJQNEIRJLIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2O.2C6HF4.Al/c1-10-7-3-5(8)2-6(9)4-7;2*7-3-1-4(8)6(10)2-5(3)9;/h3-4H,1H3;2*1H;.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane?
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane has a molecular weight of 468.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane is sourced from PubChem (CID 177045953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).