[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol

C13H20F3NO — CID 64756878

IUPAC[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol
SMILESOCC1(NCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20F3NO/c14-13(15,16)6-17-12(7-18)10-2-8-1-9(4-10)5-11(12)3-8/h8-11,17-18H,1-7H2
InChIKeyGIYBYMZHKVLJEB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.33
Rot. Bonds3

About [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol

[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol (PubChem CID 64756878) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol
PubChem CID64756878
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol
SMILESOCC1(NCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20F3NO/c14-13(15,16)6-17-12(7-18)10-2-8-1-9(4-10)5-11(12)3-8/h8-11,17-18H,1-7H2
InChIKeyGIYBYMZHKVLJEB-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol (CID 64756878) is [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol is OCC1(NCC(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol?
The InChIKey is GIYBYMZHKVLJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)6-17-12(7-18)10-2-8-1-9(4-10)5-11(12)3-8/h8-11,17-18H,1-7H2.
What are the key properties of [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol?
[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol has a molecular weight of 263.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol is sourced from PubChem (CID 64756878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).