4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine

C17H16F3N — CID 57083255

IUPAC4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2C=CCCC2C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)13-7-5-11(6-8-13)16-10-14(21)9-12-3-1-2-4-15(12)16/h1,3,5-9,15-16,21H,2,4,10H2/b21-14+
InChIKeySDDUSAGWZBRBMH-KGENOOAVSA-N
MW291.32 g/mol
LogP5.11
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine

4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine (PubChem CID 57083255) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
PubChem CID57083255
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2C=CCCC2C(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H16F3N/c18-17(19,20)13-7-5-11(6-8-13)16-10-14(21)9-12-3-1-2-4-15(12)16/h1,3,5-9,15-16,21H,2,4,10H2/b21-14+
InChIKeySDDUSAGWZBRBMH-KGENOOAVSA-N
XLogP5.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.11
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

Bis[4-(trifluoromethyl)phenyl]methanimine
CID 15857568
(E)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-imine
CID 101372106
(E)-1,1,1-trifluoro-3-methyl-4-(4-methylphenyl)but-3-en-2-imine
CID 101372107
(4-Methylphenyl)-[2-phenyl-5-(trifluoromethyl)phenyl]methanimine
CID 135008482
(4-Methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
CID 135053562
1-[4-(Trifluoromethyl)phenyl]ethylideneazanium
CID 135085394
1-[4-(Trifluoromethyl)phenyl]pentan-1-imine
CID 138967494
2,2,2-Trifluoro-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 12219782
2,2,2-Trifluoro-1-(4-methylphenyl)ethanimine
CID 12260953
1-[4-(Trifluoromethyl)phenyl]ethanimine
CID 14241377
4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
CID 57047788
3-Benzyl-2-fluorocyclohexan-1-imine
CID 57144807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine (CID 57083255) is 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine is [H]/N=C1\C=C2C=CCCC2C(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The InChIKey is SDDUSAGWZBRBMH-KGENOOAVSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)13-7-5-11(6-8-13)16-10-14(21)9-12-3-1-2-4-15(12)16/h1,3,5-9,15-16,21H,2,4,10H2/b21-14+.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine has a molecular weight of 291.32 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine is sourced from PubChem (CID 57083255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).