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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Related Compounds

2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
CID 66577858
3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane
CID 91609214
2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 168755787
8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
CID 123201368
2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
CID 96668742
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
CID 164739379
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
CID 66787483
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723

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).