[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol

C15H28F3NO — CID 63427944

IUPAC[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C15H28F3NO/c16-15(17,18)12-19-14(13-20)10-8-6-4-2-1-3-5-7-9-11-14/h19-20H,1-13H2
InChIKeyFQUBMUQRSKHJNE-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.17
Rot. Bonds3

About [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol

[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol (PubChem CID 63427944) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol
PubChem CID63427944
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C15H28F3NO/c16-15(17,18)12-19-14(13-20)10-8-6-4-2-1-3-5-7-9-11-14/h19-20H,1-13H2
InChIKeyFQUBMUQRSKHJNE-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol (CID 63427944) is [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol is OCC1(NCC(F)(F)F)CCCCCCCCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol?
The InChIKey is FQUBMUQRSKHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c16-15(17,18)12-19-14(13-20)10-8-6-4-2-1-3-5-7-9-11-14/h19-20H,1-13H2.
What are the key properties of [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol?
[1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol has a molecular weight of 295.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethylamino)cyclododecyl]methanol is sourced from PubChem (CID 63427944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).