2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium

C19H37F2NY — CID 159762366

IUPAC2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium
SMILESC.C.C.CC(C)N1CCCC1.CC(C)c1ccc(F)cc1F.[Y]
InChIInChI=1S/C9H10F2.C7H15N.3CH4.Y/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-8;;;;/h3-6H,1-2H3;7H,3-6H2,1-2H3;3*1H4;
InChIKeyNFBCSNGEVCNXHU-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.48
Rot. Bonds2

About 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium

2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium (PubChem CID 159762366) has the molecular formula C19H37F2NY and a molecular weight of 406.41 g/mol. Its IUPAC name is 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium.

Molecular Properties

Compound Name2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium
PubChem CID159762366
Molecular FormulaC19H37F2NY
Molecular Weight406.41 g/mol
Exact Mass406.20
IUPAC Name2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium
SMILESC.C.C.CC(C)N1CCCC1.CC(C)c1ccc(F)cc1F.[Y]
InChIInChI=1S/C9H10F2.C7H15N.3CH4.Y/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-8;;;;/h3-6H,1-2H3;7H,3-6H2,1-2H3;3*1H4;
InChIKeyNFBCSNGEVCNXHU-UHFFFAOYSA-N
XLogP6.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
CID 145147233
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 167149955
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 116860455
2-(azepan-1-yl)-2-(2,4-difluorophenyl)ethanethioamide
CID 84748603
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium?
The IUPAC name of 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium (CID 159762366) is 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium.
What is the SMILES notation for 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium?
The canonical SMILES for 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium is C.C.C.CC(C)N1CCCC1.CC(C)c1ccc(F)cc1F.[Y].
What is the InChIKey of 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium?
The InChIKey is NFBCSNGEVCNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C7H15N.3CH4.Y/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-5-3-4-6-8;;;;/h3-6H,1-2H3;7H,3-6H2,1-2H3;3*1H4;.
What are the key properties of 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium?
2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium has a molecular weight of 406.41 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium is sourced from PubChem (CID 159762366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).