3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol

C13H20F3NO — CID 63899413

IUPAC3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11(18)7-17-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,17-18H,1-7H2
InChIKeyZUFUIHPVYDLUAZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.47
Rot. Bonds3

About 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol

3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63899413) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63899413
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11(18)7-17-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,17-18H,1-7H2
InChIKeyZUFUIHPVYDLUAZ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol (CID 63899413) is 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol is OC(CNC12CC3CC(CC(C3)C1)C2)C(F)(F)F.
What is the InChIKey of 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZUFUIHPVYDLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)11(18)7-17-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,17-18H,1-7H2.
What are the key properties of 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol?
3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 263.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).