4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine

C16H16FN — CID 57047788

IUPAC4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2C=CCCC2C(c2cccc(F)c2)C1
InChIInChI=1S/C16H16FN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1,3-6,8-9,15-16,18H,2,7,10H2/b18-14+
InChIKeyQTAORYLJBJHMQV-NBVRZTHBSA-N
MW241.31 g/mol
LogP4.23
Rot. Bonds1

About 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine

4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine (PubChem CID 57047788) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
PubChem CID57047788
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2C=CCCC2C(c2cccc(F)c2)C1
InChIInChI=1S/C16H16FN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1,3-6,8-9,15-16,18H,2,7,10H2/b18-14+
InChIKeyQTAORYLJBJHMQV-NBVRZTHBSA-N
XLogP4.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The IUPAC name of 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine (CID 57047788) is 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine.
What is the SMILES notation for 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The canonical SMILES for 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine is [H]/N=C1\C=C2C=CCCC2C(c2cccc(F)c2)C1.
What is the InChIKey of 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
The InChIKey is QTAORYLJBJHMQV-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H16FN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1,3-6,8-9,15-16,18H,2,7,10H2/b18-14+.
What are the key properties of 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine?
4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine has a molecular weight of 241.31 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-imine is sourced from PubChem (CID 57047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).