6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane

C13H14F3NO — CID 118904692

IUPAC6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
SMILESFC(F)(F)c1cccc(N2CCC3(CC2)CO3)c1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-2-1-3-11(8-10)17-6-4-12(5-7-17)9-18-12/h1-3,8H,4-7,9H2
InChIKeyJAZSFPNLUYZYKF-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.07
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane

6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane (PubChem CID 118904692) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
PubChem CID118904692
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
SMILESFC(F)(F)c1cccc(N2CCC3(CC2)CO3)c1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-2-1-3-11(8-10)17-6-4-12(5-7-17)9-18-12/h1-3,8H,4-7,9H2
InChIKeyJAZSFPNLUYZYKF-UHFFFAOYSA-N
XLogP3.07
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
4,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-1,5-diazocane
CID 146522074
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
(1-aminocyclopentyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828301
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane (CID 118904692) is 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane is FC(F)(F)c1cccc(N2CCC3(CC2)CO3)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is JAZSFPNLUYZYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)10-2-1-3-11(8-10)17-6-4-12(5-7-17)9-18-12/h1-3,8H,4-7,9H2.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane?
6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 257.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 118904692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).