3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NO2 — CID 113352072

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-17-9-5-7(10(9,2)3)15-6-8(16)11(12,13)14/h7-9,15-16H,4-6H2,1-3H3
InChIKeyCDJLZDWUIRCCKC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds5

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 113352072) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID113352072
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCOC1CC(NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-17-9-5-7(10(9,2)3)15-6-8(16)11(12,13)14/h7-9,15-16H,4-6H2,1-3H3
InChIKeyCDJLZDWUIRCCKC-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol (CID 113352072) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol is CCOC1CC(NCC(O)C(F)(F)F)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CDJLZDWUIRCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-17-9-5-7(10(9,2)3)15-6-8(16)11(12,13)14/h7-9,15-16H,4-6H2,1-3H3.
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113352072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).