N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine

C14H13ClF3NO — CID 62599668

IUPACN-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-7-19-9-14(16,17)18/h1-6,19H,7-9H2
InChIKeyACNKFRYEGFDAFY-UHFFFAOYSA-N
MW303.71 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine

N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine (PubChem CID 62599668) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine
PubChem CID62599668
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC NameN-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-7-19-9-14(16,17)18/h1-6,19H,7-9H2
InChIKeyACNKFRYEGFDAFY-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine (CID 62599668) is N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine?
The InChIKey is ACNKFRYEGFDAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c15-12-5-6-13(11-4-2-1-3-10(11)12)20-8-7-19-9-14(16,17)18/h1-6,19H,7-9H2.
What are the key properties of N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine?
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine has a molecular weight of 303.71 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62599668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).