bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane

C19H15AlF6O — CID 177045612

IUPACbis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane
SMILESCOc1ccc(F)c([Al](C2(F)C=CC=C(F)C2)C2(F)C=CC=C(F)C2)c1F
InChIInChI=1S/C7H5F2O.2C6H5F2.Al/c1-10-7-3-2-5(8)4-6(7)9;2*7-5-2-1-3-6(8)4-5;/h2-3H,1H3;2*1-3H,4H2;
InChIKeyGBJMPJJFSLLSDS-UHFFFAOYSA-N
MW400.30 g/mol
LogP4.80
Rot. Bonds4

About bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane

bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane (PubChem CID 177045612) has the molecular formula C19H15AlF6O and a molecular weight of 400.30 g/mol. Its IUPAC name is bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane.

Molecular Properties

Compound Namebis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane
PubChem CID177045612
Molecular FormulaC19H15AlF6O
Molecular Weight400.30 g/mol
Exact Mass400.08
IUPAC Namebis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane
SMILESCOc1ccc(F)c([Al](C2(F)C=CC=C(F)C2)C2(F)C=CC=C(F)C2)c1F
InChIInChI=1S/C7H5F2O.2C6H5F2.Al/c1-10-7-3-2-5(8)4-6(7)9;2*7-5-2-1-3-6(8)4-5;/h2-3H,1H3;2*1-3H,4H2;
InChIKeyGBJMPJJFSLLSDS-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
CID 142330852
1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
CID 177192883
(4S)-4-(2,6-difluoro-3-methoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187469
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652

Frequently Asked Questions

What is the IUPAC name of bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane?
The IUPAC name of bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane (CID 177045612) is bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane.
What is the SMILES notation for bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane?
The canonical SMILES for bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane is COc1ccc(F)c([Al](C2(F)C=CC=C(F)C2)C2(F)C=CC=C(F)C2)c1F.
What is the InChIKey of bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane?
The InChIKey is GBJMPJJFSLLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2O.2C6H5F2.Al/c1-10-7-3-2-5(8)4-6(7)9;2*7-5-2-1-3-6(8)4-5;/h2-3H,1H3;2*1-3H,4H2;.
What are the key properties of bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane?
bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane has a molecular weight of 400.30 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-difluorocyclohexa-2,4-dien-1-yl)-(2,6-difluoro-3-methoxyphenyl)alumane is sourced from PubChem (CID 177045612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).