3-(2-fluoroethoxy)naphthalen-1-amine

C12H12FNO — CID 87088511

IUPAC3-(2-fluoroethoxy)naphthalen-1-amine
SMILESNc1cc(OCCF)cc2ccccc12
InChIInChI=1S/C12H12FNO/c13-5-6-15-10-7-9-3-1-2-4-11(9)12(14)8-10/h1-4,7-8H,5-6,14H2
InChIKeyHVPNDPMTNALKIX-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.77
Rot. Bonds3

About 3-(2-fluoroethoxy)naphthalen-1-amine

3-(2-fluoroethoxy)naphthalen-1-amine (PubChem CID 87088511) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)naphthalen-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethoxy)naphthalen-1-amine
PubChem CID87088511
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name3-(2-fluoroethoxy)naphthalen-1-amine
SMILESNc1cc(OCCF)cc2ccccc12
InChIInChI=1S/C12H12FNO/c13-5-6-15-10-7-9-3-1-2-4-11(9)12(14)8-10/h1-4,7-8H,5-6,14H2
InChIKeyHVPNDPMTNALKIX-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)naphthalen-1-amine?
The IUPAC name of 3-(2-fluoroethoxy)naphthalen-1-amine (CID 87088511) is 3-(2-fluoroethoxy)naphthalen-1-amine.
What is the SMILES notation for 3-(2-fluoroethoxy)naphthalen-1-amine?
The canonical SMILES for 3-(2-fluoroethoxy)naphthalen-1-amine is Nc1cc(OCCF)cc2ccccc12.
What is the InChIKey of 3-(2-fluoroethoxy)naphthalen-1-amine?
The InChIKey is HVPNDPMTNALKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-5-6-15-10-7-9-3-1-2-4-11(9)12(14)8-10/h1-4,7-8H,5-6,14H2.
What are the key properties of 3-(2-fluoroethoxy)naphthalen-1-amine?
3-(2-fluoroethoxy)naphthalen-1-amine has a molecular weight of 205.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)naphthalen-1-amine is sourced from PubChem (CID 87088511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).