1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine

C13H16FNO — CID 89070780

IUPAC1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine
SMILESC=C(N)c1ccc(C2(F)CCOCC2)cc1
InChIInChI=1S/C13H16FNO/c1-10(15)11-2-4-12(5-3-11)13(14)6-8-16-9-7-13/h2-5H,1,6-9,15H2
InChIKeyILNHPNSXZYEMMG-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.59
Rot. Bonds2

About 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine

1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine (PubChem CID 89070780) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine
PubChem CID89070780
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine
SMILESC=C(N)c1ccc(C2(F)CCOCC2)cc1
InChIInChI=1S/C13H16FNO/c1-10(15)11-2-4-12(5-3-11)13(14)6-8-16-9-7-13/h2-5H,1,6-9,15H2
InChIKeyILNHPNSXZYEMMG-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine?
The IUPAC name of 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine (CID 89070780) is 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine.
What is the SMILES notation for 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine?
The canonical SMILES for 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine is C=C(N)c1ccc(C2(F)CCOCC2)cc1.
What is the InChIKey of 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine?
The InChIKey is ILNHPNSXZYEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(15)11-2-4-12(5-3-11)13(14)6-8-16-9-7-13/h2-5H,1,6-9,15H2.
What are the key properties of 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine?
1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine has a molecular weight of 221.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorooxan-4-yl)phenyl]ethenamine is sourced from PubChem (CID 89070780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).