8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol

C19H26F3NO — CID 66577720

IUPAC8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H26F3NO/c1-14(2)18(24)9-7-17(8-10-18)11-12-23(13-17)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,24H,7-13H2,1-2H3
InChIKeyRJTAEALIRSLFTJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.86
Rot. Bonds2

About 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol

8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol (PubChem CID 66577720) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
PubChem CID66577720
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H26F3NO/c1-14(2)18(24)9-7-17(8-10-18)11-12-23(13-17)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,24H,7-13H2,1-2H3
InChIKeyRJTAEALIRSLFTJ-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol?
The IUPAC name of 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol (CID 66577720) is 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol is CC(C)C1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol?
The InChIKey is RJTAEALIRSLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-14(2)18(24)9-7-17(8-10-18)11-12-23(13-17)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,24H,7-13H2,1-2H3.
What are the key properties of 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol?
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol has a molecular weight of 341.42 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol is sourced from PubChem (CID 66577720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).