1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine

C13H16F3NO — CID 102053586

IUPAC1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
SMILESCCCC/C(=N\c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-4-5-12(13(14,15)16)17-10-6-8-11(18-2)9-7-10/h6-9H,3-5H2,1-2H3/b17-12+
InChIKeySLQGAHHIAGGINV-SFQUDFHCSA-N
MW259.27 g/mol
LogP4.52
Rot. Bonds5

About 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine

1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine (PubChem CID 102053586) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
PubChem CID102053586
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine
SMILESCCCC/C(=N\c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-4-5-12(13(14,15)16)17-10-6-8-11(18-2)9-7-10/h6-9H,3-5H2,1-2H3/b17-12+
InChIKeySLQGAHHIAGGINV-SFQUDFHCSA-N
XLogP4.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
N-(4-methoxyphenyl)hexan-3-imine
CID 134897334
5,5,5-trifluoro-N-(4-methoxyphenyl)pent-3-yn-2-imine
CID 90221391
1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
CID 10543533
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
2-bromo-2,2-difluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
CID 86064407
[(2E,4E)-octa-2,4-dienyl] 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidate
CID 135079009
N-(4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
CID 10618093
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-(4-methoxyphenyl)iminononanoate
CID 12654231
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine (CID 102053586) is 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine is CCCC/C(=N\c1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine?
The InChIKey is SLQGAHHIAGGINV-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-4-5-12(13(14,15)16)17-10-6-8-11(18-2)9-7-10/h6-9H,3-5H2,1-2H3/b17-12+.
What are the key properties of 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine?
1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine has a molecular weight of 259.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-methoxyphenyl)hexan-2-imine is sourced from PubChem (CID 102053586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).