1-[4-(trifluoromethyl)phenyl]pentan-1-imine

C12H14F3N — CID 138967494

IUPAC1-[4-(trifluoromethyl)phenyl]pentan-1-imine
SMILES[H]/N=C(\CCCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,16H,2-4H2,1H3/b16-11+
InChIKeyQIEWSOLODLSJRB-LFIBNONCSA-N
MW229.25 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-(trifluoromethyl)phenyl]pentan-1-imine

1-[4-(trifluoromethyl)phenyl]pentan-1-imine (PubChem CID 138967494) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]pentan-1-imine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]pentan-1-imine
PubChem CID138967494
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-[4-(trifluoromethyl)phenyl]pentan-1-imine
SMILES[H]/N=C(\CCCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,16H,2-4H2,1H3/b16-11+
InChIKeyQIEWSOLODLSJRB-LFIBNONCSA-N
XLogP4.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 54.26
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

Benzophenone imine
CID 136809
2-[(E)-1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 9573034
2-[[(4-Fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 29893
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
(1Z)-1-(4-Methylphenyl)ethanone oxime
CID 5385523
Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oxime
CID 280810
(NE)-N-[2-(3,4-difluorophenyl)-3-ethylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11579567
Guanidine, ((p-fluoro-alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzylidene)amino)-
CID 5475188
Acetophenone, 4'-ethyl-, oxime
CID 5356505
2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781
2-[(Z)-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]pentan-1-imine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]pentan-1-imine (CID 138967494) is 1-[4-(trifluoromethyl)phenyl]pentan-1-imine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]pentan-1-imine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]pentan-1-imine is [H]/N=C(\CCCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]pentan-1-imine?
The InChIKey is QIEWSOLODLSJRB-LFIBNONCSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-3-4-11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8,16H,2-4H2,1H3/b16-11+.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]pentan-1-imine?
1-[4-(trifluoromethyl)phenyl]pentan-1-imine has a molecular weight of 229.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]pentan-1-imine is sourced from PubChem (CID 138967494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).