N-(2,3,5-trifluorophenyl)oxan-4-amine

C11H12F3NO — CID 62810329

IUPACN-(2,3,5-trifluorophenyl)oxan-4-amine
SMILESFc1cc(F)c(F)c(NC2CCOCC2)c1
InChIInChI=1S/C11H12F3NO/c12-7-5-9(13)11(14)10(6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2
InChIKeyQHRSEJQSXLIZCF-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.69
Rot. Bonds2

About N-(2,3,5-trifluorophenyl)oxan-4-amine

N-(2,3,5-trifluorophenyl)oxan-4-amine (PubChem CID 62810329) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(2,3,5-trifluorophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,3,5-trifluorophenyl)oxan-4-amine
PubChem CID62810329
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(2,3,5-trifluorophenyl)oxan-4-amine
SMILESFc1cc(F)c(F)c(NC2CCOCC2)c1
InChIInChI=1S/C11H12F3NO/c12-7-5-9(13)11(14)10(6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2
InChIKeyQHRSEJQSXLIZCF-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trifluorophenyl)oxan-4-amine?
The IUPAC name of N-(2,3,5-trifluorophenyl)oxan-4-amine (CID 62810329) is N-(2,3,5-trifluorophenyl)oxan-4-amine.
What is the SMILES notation for N-(2,3,5-trifluorophenyl)oxan-4-amine?
The canonical SMILES for N-(2,3,5-trifluorophenyl)oxan-4-amine is Fc1cc(F)c(F)c(NC2CCOCC2)c1.
What is the InChIKey of N-(2,3,5-trifluorophenyl)oxan-4-amine?
The InChIKey is QHRSEJQSXLIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-7-5-9(13)11(14)10(6-7)15-8-1-3-16-4-2-8/h5-6,8,15H,1-4H2.
What are the key properties of N-(2,3,5-trifluorophenyl)oxan-4-amine?
N-(2,3,5-trifluorophenyl)oxan-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trifluorophenyl)oxan-4-amine is sourced from PubChem (CID 62810329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).