4-(3-fluorophenyl)naphthalen-1-amine

C16H12FN — CID 171396853

IUPAC4-(3-fluorophenyl)naphthalen-1-amine
SMILESNc1ccc(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C16H12FN/c17-12-5-3-4-11(10-12)13-8-9-16(18)15-7-2-1-6-14(13)15/h1-10H,18H2
InChIKeyXWFIVJYOPLSOTF-UHFFFAOYSA-N
MW237.28 g/mol
LogP4.23
Rot. Bonds1

About 4-(3-fluorophenyl)naphthalen-1-amine

4-(3-fluorophenyl)naphthalen-1-amine (PubChem CID 171396853) has the molecular formula C16H12FN and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)naphthalen-1-amine
PubChem CID171396853
Molecular FormulaC16H12FN
Molecular Weight237.28 g/mol
Exact Mass237.10
IUPAC Name4-(3-fluorophenyl)naphthalen-1-amine
SMILESNc1ccc(-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C16H12FN/c17-12-5-3-4-11(10-12)13-8-9-16(18)15-7-2-1-6-14(13)15/h1-10H,18H2
InChIKeyXWFIVJYOPLSOTF-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-5-(3-fluorophenyl)naphthalene
CID 46313965
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
3-chloro-4-(3-fluorophenyl)-2-methylaniline
CID 171916548
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
5-(4-fluorophenyl)naphthalen-1-amine
CID 172677714
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
CID 102219851
4-(3-fluorophenyl)quinoline
CID 141309372
3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 121401505
4-amino-3-(3-fluorophenyl)benzonitrile
CID 46314165
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)naphthalen-1-amine?
The IUPAC name of 4-(3-fluorophenyl)naphthalen-1-amine (CID 171396853) is 4-(3-fluorophenyl)naphthalen-1-amine.
What is the SMILES notation for 4-(3-fluorophenyl)naphthalen-1-amine?
The canonical SMILES for 4-(3-fluorophenyl)naphthalen-1-amine is Nc1ccc(-c2cccc(F)c2)c2ccccc12.
What is the InChIKey of 4-(3-fluorophenyl)naphthalen-1-amine?
The InChIKey is XWFIVJYOPLSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN/c17-12-5-3-4-11(10-12)13-8-9-16(18)15-7-2-1-6-14(13)15/h1-10H,18H2.
What are the key properties of 4-(3-fluorophenyl)naphthalen-1-amine?
4-(3-fluorophenyl)naphthalen-1-amine has a molecular weight of 237.28 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)naphthalen-1-amine is sourced from PubChem (CID 171396853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).