[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol

C13H22F3NO — CID 114819817

IUPAC[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCC2(CCCC2)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-17-12(10-18)7-5-11(6-8-12)3-1-2-4-11/h17-18H,1-10H2
InChIKeyCVRBTDOTKRBITN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds3

About [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol

[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol (PubChem CID 114819817) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol
PubChem CID114819817
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCC2(CCCC2)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-17-12(10-18)7-5-11(6-8-12)3-1-2-4-11/h17-18H,1-10H2
InChIKeyCVRBTDOTKRBITN-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol (CID 114819817) is [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol is OCC1(NCC(F)(F)F)CCC2(CCCC2)CC1.
What is the InChIKey of [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol?
The InChIKey is CVRBTDOTKRBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-17-12(10-18)7-5-11(6-8-12)3-1-2-4-11/h17-18H,1-10H2.
What are the key properties of [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol?
[8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol has a molecular weight of 265.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,2,2-trifluoroethylamino)spiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 114819817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).