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

C13H14FNO — CID 81106275

IUPAC4-(3-fluoropropoxy)naphthalen-1-amine
SMILESNc1ccc(OCCCF)c2ccccc12
InChIInChI=1S/C13H14FNO/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7H,3,8-9,15H2
InChIKeyLGOSLSLVFOYPGX-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.16
Rot. Bonds4

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

4-(3-fluoropropoxy)naphthalen-1-amine (PubChem CID 81106275) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(3-fluoropropoxy)naphthalen-1-amine.

Molecular Properties

Compound Name4-(3-fluoropropoxy)naphthalen-1-amine
PubChem CID81106275
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-(3-fluoropropoxy)naphthalen-1-amine
SMILESNc1ccc(OCCCF)c2ccccc12
InChIInChI=1S/C13H14FNO/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7H,3,8-9,15H2
InChIKeyLGOSLSLVFOYPGX-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropoxy)naphthalen-1-amine?
The IUPAC name of 4-(3-fluoropropoxy)naphthalen-1-amine (CID 81106275) is 4-(3-fluoropropoxy)naphthalen-1-amine.
What is the SMILES notation for 4-(3-fluoropropoxy)naphthalen-1-amine?
The canonical SMILES for 4-(3-fluoropropoxy)naphthalen-1-amine is Nc1ccc(OCCCF)c2ccccc12.
What is the InChIKey of 4-(3-fluoropropoxy)naphthalen-1-amine?
The InChIKey is LGOSLSLVFOYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-8-3-9-16-13-7-6-12(15)10-4-1-2-5-11(10)13/h1-2,4-7H,3,8-9,15H2.
What are the key properties of 4-(3-fluoropropoxy)naphthalen-1-amine?
4-(3-fluoropropoxy)naphthalen-1-amine has a molecular weight of 219.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropoxy)naphthalen-1-amine is sourced from PubChem (CID 81106275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).