6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane

C14H16F3N — CID 175706595

IUPAC6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
SMILESFC(F)(F)c1ccc(C2CCC3(CNC3)C2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-3-1-10(2-4-12)11-5-6-13(7-11)8-18-9-13/h1-4,11,18H,5-9H2
InChIKeyHVQAYIYRYXSSOD-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.56
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane

6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane (PubChem CID 175706595) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
PubChem CID175706595
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
SMILESFC(F)(F)c1ccc(C2CCC3(CNC3)C2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-3-1-10(2-4-12)11-5-6-13(7-11)8-18-9-13/h1-4,11,18H,5-9H2
InChIKeyHVQAYIYRYXSSOD-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane (CID 175706595) is 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane is FC(F)(F)c1ccc(C2CCC3(CNC3)C2)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane?
The InChIKey is HVQAYIYRYXSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)12-3-1-10(2-4-12)11-5-6-13(7-11)8-18-9-13/h1-4,11,18H,5-9H2.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane?
6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane has a molecular weight of 255.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane is sourced from PubChem (CID 175706595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).