3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium

C18H34F3NY — CID 159981381

IUPAC3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
SMILESC.C.C.CC(C)N1CC(F)(F)C1.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C9H11F.C6H11F2N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)9-3-6(7,8)4-9;;;;/h3-7H,1-2H3;5H,3-4H2,1-2H3;3*1H4;
InChIKeyOFUUREKECNNDRC-UHFFFAOYSA-N
MW410.38 g/mol
LogP6.20
Rot. Bonds2

About 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium

3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium (PubChem CID 159981381) has the molecular formula C18H34F3NY and a molecular weight of 410.38 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
PubChem CID159981381
Molecular FormulaC18H34F3NY
Molecular Weight410.38 g/mol
Exact Mass410.17
IUPAC Name3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
SMILESC.C.C.CC(C)N1CC(F)(F)C1.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C9H11F.C6H11F2N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)9-3-6(7,8)4-9;;;;/h3-7H,1-2H3;5H,3-4H2,1-2H3;3*1H4;
InChIKeyOFUUREKECNNDRC-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.38
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
CID 159799784
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
2,4-difluoro-1-propan-2-ylbenzene;methane;1-propan-2-ylpyrrolidine;yttrium
CID 159762366
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
1-fluoro-4-propan-2-ylbenzene;methane;2-oxo-1-propan-2-ylpyridine-3-carbonitrile;yttrium
CID 159494156
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
CID 162195552

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium (CID 159981381) is 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium is C.C.C.CC(C)N1CC(F)(F)C1.CC(C)c1ccc(F)cc1.[Y].
What is the InChIKey of 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The InChIKey is OFUUREKECNNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C6H11F2N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)9-3-6(7,8)4-9;;;;/h3-7H,1-2H3;5H,3-4H2,1-2H3;3*1H4;.
What are the key properties of 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium has a molecular weight of 410.38 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium is sourced from PubChem (CID 159981381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).