[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine

C11H12F3NO — CID 123354447

IUPAC[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(2)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-7,15H,1-2H3/b15-6+
InChIKeyBOUHSYRKKQVHCJ-GIDUJCDVSA-N
MW231.22 g/mol
LogP3.49
Rot. Bonds3

About [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine

[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine (PubChem CID 123354447) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
PubChem CID123354447
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(2)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-7,15H,1-2H3/b15-6+
InChIKeyBOUHSYRKKQVHCJ-GIDUJCDVSA-N
XLogP3.49
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 63320807
4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 168922264
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 166687454
2-[4-formyl-2-(trifluoromethyl)phenoxy]propanenitrile
CID 63320695
5-methanimidoyl-2-methoxyphenol
CID 23221891
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
4,4,5,5-tetramethyl-2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 58494057
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 163198159

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine (CID 123354447) is [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine is [H]/N=C/c1ccc(OC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is BOUHSYRKKQVHCJ-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7(2)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-7,15H,1-2H3/b15-6+.
What are the key properties of [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine?
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 231.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 123354447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).