4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol

C13H20F3NO — CID 177037678

IUPAC4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESOC1(C(F)(F)F)CCN(C2CCCC2)C2(CC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(18)7-8-17(10-3-1-2-4-10)11(9-12)5-6-11/h10,18H,1-9H2
InChIKeyKMJMLIOVNMDBDK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.85
Rot. Bonds1

About 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol

4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol (PubChem CID 177037678) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
PubChem CID177037678
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESOC1(C(F)(F)F)CCN(C2CCCC2)C2(CC2)C1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(18)7-8-17(10-3-1-2-4-10)11(9-12)5-6-11/h10,18H,1-9H2
InChIKeyKMJMLIOVNMDBDK-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
CID 90418989
1-Tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
CID 90419709
1-Tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
CID 90420086
1-Cyclopentyl-4-(trifluoromethyl)piperidin-4-ol
CID 109851826
1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262
4-(3,3-Difluorobutyl)-1-methylpiperidin-4-ol
CID 144699623
4-(4,4-Difluorobutyl)-1-methylpiperidin-4-ol
CID 146582687
4-[(2,2-Difluorocyclopropyl)methyl]-1-methylpiperidin-4-ol
CID 146583153
1,2-Ditert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 153289723
1-Propan-2-yl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 64565763
1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 65212732
1,2-Dimethyl-4-(3,3,3-trifluoropropyl)piperidin-4-ol
CID 81610577

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol (CID 177037678) is 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol is OC1(C(F)(F)F)CCN(C2CCCC2)C2(CC2)C1.
What is the InChIKey of 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The InChIKey is KMJMLIOVNMDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)12(18)7-8-17(10-3-1-2-4-10)11(9-12)5-6-11/h10,18H,1-9H2.
What are the key properties of 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol has a molecular weight of 263.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 177037678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).