(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol

C12H22F3NO2 — CID 163245686

IUPAC(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-8(2)4-9(7-17)16-10-5-11(3,6-10)18-12(13,14)15/h8-10,16-17H,4-7H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyLAPBRAKRURYTLU-KPPDAEKUSA-N
MW269.31 g/mol
LogP2.44
Rot. Bonds6

About (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol

(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol (PubChem CID 163245686) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
PubChem CID163245686
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-8(2)4-9(7-17)16-10-5-11(3,6-10)18-12(13,14)15/h8-10,16-17H,4-7H2,1-3H3/t9-,10?,11?/m1/s1
InChIKeyLAPBRAKRURYTLU-KPPDAEKUSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol (CID 163245686) is (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol is CC(C)C[C@H](CO)NC1CC(C)(OC(F)(F)F)C1.
What is the InChIKey of (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
The InChIKey is LAPBRAKRURYTLU-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-8(2)4-9(7-17)16-10-5-11(3,6-10)18-12(13,14)15/h8-10,16-17H,4-7H2,1-3H3/t9-,10?,11?/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol?
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol is sourced from PubChem (CID 163245686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).