1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine

C12H14F3N — CID 146258533

IUPAC1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(C(C)C(F)(F)F)c1C
InChIInChI=1S/C12H14F3N/c1-7-10(8(2)12(13,14)15)5-4-6-11(7)9(3)16/h4-6,8,16H,1-3H3/b16-9+
InChIKeyWWUYGZRYYKJLTB-CXUHLZMHSA-N
MW229.25 g/mol
LogP4.05
Rot. Bonds2

About 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine

1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine (PubChem CID 146258533) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine.

Molecular Properties

Compound Name1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine
PubChem CID146258533
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine
SMILES[H]/N=C(\C)c1cccc(C(C)C(F)(F)F)c1C
InChIInChI=1S/C12H14F3N/c1-7-10(8(2)12(13,14)15)5-4-6-11(7)9(3)16/h4-6,8,16H,1-3H3/b16-9+
InChIKeyWWUYGZRYYKJLTB-CXUHLZMHSA-N
XLogP4.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(1,1,1-trifluoropropan-2-yl)phenol
CID 24760546
butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-(2-amino-3-ethanimidoylphenyl)propan-2-ol
CID 126605955
2-ethanimidoyl-6-fluoroaniline
CID 143652831
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
CID 90963737
(2R)-3-(3-ethanimidoyl-2-fluorophenyl)-3,3-difluoro-2-methylpropane-1,2-diol
CID 156547570
1-[2-(3-phenylphenyl)phenyl]ethanimine
CID 170152317
2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
CID 635287
1-(2-methoxyphenyl)ethanimine
CID 154457857
2-chloro-1-[3-(difluoromethyl)-2-methylphenyl]propan-1-one
CID 131415290

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine?
The IUPAC name of 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine (CID 146258533) is 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine.
What is the SMILES notation for 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine?
The canonical SMILES for 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine is [H]/N=C(\C)c1cccc(C(C)C(F)(F)F)c1C.
What is the InChIKey of 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine?
The InChIKey is WWUYGZRYYKJLTB-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7-10(8(2)12(13,14)15)5-4-6-11(7)9(3)16/h4-6,8,16H,1-3H3/b16-9+.
What are the key properties of 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine?
1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine has a molecular weight of 229.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine is sourced from PubChem (CID 146258533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).