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

C10H18F3NO — CID 177037256

IUPACethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESCC.OC1(C(F)(F)F)CCNC2(CC2)C1
InChIInChI=1S/C8H12F3NO.C2H6/c9-8(10,11)7(13)3-4-12-6(5-7)1-2-6;1-2/h12-13H,1-5H2;1-2H3
InChIKeyNKLMLZCAVCHLCL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds

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

ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol (PubChem CID 177037256) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Nameethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
PubChem CID177037256
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Nameethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
SMILESCC.OC1(C(F)(F)F)CCNC2(CC2)C1
InChIInChI=1S/C8H12F3NO.C2H6/c9-8(10,11)7(13)3-4-12-6(5-7)1-2-6;1-2/h12-13H,1-5H2;1-2H3
InChIKeyNKLMLZCAVCHLCL-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol (CID 177037256) is ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol is CC.OC1(C(F)(F)F)CCNC2(CC2)C1.
What is the InChIKey of ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
The InChIKey is NKLMLZCAVCHLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.C2H6/c9-8(10,11)7(13)3-4-12-6(5-7)1-2-6;1-2/h12-13H,1-5H2;1-2H3.
What are the key properties of ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol?
ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 177037256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).