N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine

C13H16F3NO2 — CID 80716691

IUPACN-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(17-11-6-7-18-8-11)10-2-4-12(5-3-10)19-13(14,15)16/h2-5,9,11,17H,6-8H2,1H3
InChIKeyCGKHEISMLSWWPU-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.02
Rot. Bonds4

About N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine (PubChem CID 80716691) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
PubChem CID80716691
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-9(17-11-6-7-18-8-11)10-2-4-12(5-3-10)19-13(14,15)16/h2-5,9,11,17H,6-8H2,1H3
InChIKeyCGKHEISMLSWWPU-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
CID 68593383
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 115916988
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893773
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine
CID 80716875
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine (CID 80716691) is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine is CC(NC1CCOC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The InChIKey is CGKHEISMLSWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(17-11-6-7-18-8-11)10-2-4-12(5-3-10)19-13(14,15)16/h2-5,9,11,17H,6-8H2,1H3.
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine has a molecular weight of 275.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine is sourced from PubChem (CID 80716691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).