[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol

C11H18F3NO — CID 64759586

IUPAC[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol
SMILESNCC1(CO)CC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-3-9(4-2-8)5-10(9,6-15)7-16/h8,16H,1-7,15H2
InChIKeyWNXDVPXLOUVBJC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.07
Rot. Bonds2

About [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol

[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol (PubChem CID 64759586) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol
PubChem CID64759586
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol
SMILESNCC1(CO)CC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-3-9(4-2-8)5-10(9,6-15)7-16/h8,16H,1-7,15H2
InChIKeyWNXDVPXLOUVBJC-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol?
The IUPAC name of [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol (CID 64759586) is [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol?
The canonical SMILES for [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol is NCC1(CO)CC12CCC(C(F)(F)F)CC2.
What is the InChIKey of [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol?
The InChIKey is WNXDVPXLOUVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-1-3-9(4-2-8)5-10(9,6-15)7-16/h8,16H,1-7,15H2.
What are the key properties of [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol?
[2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol has a molecular weight of 237.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-(trifluoromethyl)spiro[2.5]octan-2-yl]methanol is sourced from PubChem (CID 64759586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).