1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium

C18H35F4NY — CID 162195552

IUPAC1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
SMILESC.C.C.CC(C)NCCC(F)(F)F.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C9H11F.C6H12F3N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)10-4-3-6(7,8)9;;;;/h3-7H,1-2H3;5,10H,3-4H2,1-2H3;3*1H4;
InChIKeyZQWRTWLUQYLMMT-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.79
Rot. Bonds4

About 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium

1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium (PubChem CID 162195552) has the molecular formula C18H35F4NY and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium.

Molecular Properties

Compound Name1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
PubChem CID162195552
Molecular FormulaC18H35F4NY
Molecular Weight430.38 g/mol
Exact Mass430.18
IUPAC Name1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
SMILESC.C.C.CC(C)NCCC(F)(F)F.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C9H11F.C6H12F3N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)10-4-3-6(7,8)9;;;;/h3-7H,1-2H3;5,10H,3-4H2,1-2H3;3*1H4;
InChIKeyZQWRTWLUQYLMMT-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium with MolForge

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Related Compounds

1,3-dichloro-5-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
CID 159570613
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
4-fluoro-N-(3,3,3-trifluoropropyl)aniline
CID 57038239
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium?
The IUPAC name of 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium (CID 162195552) is 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium.
What is the SMILES notation for 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium?
The canonical SMILES for 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium is C.C.C.CC(C)NCCC(F)(F)F.CC(C)c1ccc(F)cc1.[Y].
What is the InChIKey of 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium?
The InChIKey is ZQWRTWLUQYLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C6H12F3N.3CH4.Y/c1-7(2)8-3-5-9(10)6-4-8;1-5(2)10-4-3-6(7,8)9;;;;/h3-7H,1-2H3;5,10H,3-4H2,1-2H3;3*1H4;.
What are the key properties of 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium?
1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium has a molecular weight of 430.38 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium is sourced from PubChem (CID 162195552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).