2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane

C18H24F3NO — CID 141308722

IUPAC2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane
SMILESFC(F)(F)CCOc1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)11-13-23-16-6-4-15(5-7-16)22-12-10-17(14-22)8-2-1-3-9-17/h4-7H,1-3,8-14H2
InChIKeyMYUWFMJBDCGCBT-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.18
Rot. Bonds4

About 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane

2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane (PubChem CID 141308722) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane
PubChem CID141308722
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane
SMILESFC(F)(F)CCOc1ccc(N2CCC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)11-13-23-16-6-4-15(5-7-16)22-12-10-17(14-22)8-2-1-3-9-17/h4-7H,1-3,8-14H2
InChIKeyMYUWFMJBDCGCBT-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-(2,2-dimethylpropylsulfonyl)-2-[4-(3,3,3-trifluoropropoxy)phenyl]-2,8-diazaspiro[4.5]decane
CID 123502158
1-[4-(3,3,3-trifluoropropoxy)phenyl]-1,4-diazepane
CID 64565536
8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane
CID 141308716
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717
8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane
CID 66577922
2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
CID 141308714
1-[4-(3,3,3-triphenylpropoxy)phenyl]piperidine
CID 67570623
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
5-[4-(bromomethyl)phenyl]-5-azaspiro[2.4]heptane
CID 131123654
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
N-chloro-1-phenylmethanamine;2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane
CID 157288850
1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane?
The IUPAC name of 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane (CID 141308722) is 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane is FC(F)(F)CCOc1ccc(N2CCC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane?
The InChIKey is MYUWFMJBDCGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c19-18(20,21)11-13-23-16-6-4-15(5-7-16)22-12-10-17(14-22)8-2-1-3-9-17/h4-7H,1-3,8-14H2.
What are the key properties of 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane?
2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane has a molecular weight of 327.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane is sourced from PubChem (CID 141308722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).