4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol

C11H22F3NO2 — CID 54962234

IUPAC4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)6-10(7-16)15-4-3-5-17-8-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3
InChIKeyGVCXKCVAULYFKD-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.95
Rot. Bonds9

About 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol

4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol (PubChem CID 54962234) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
PubChem CID54962234
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-9(2)6-10(7-16)15-4-3-5-17-8-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3
InChIKeyGVCXKCVAULYFKD-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol (CID 54962234) is 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol is CC(C)CC(CO)NCCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The InChIKey is GVCXKCVAULYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(2)6-10(7-16)15-4-3-5-17-8-11(12,13)14/h9-10,15-16H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol is sourced from PubChem (CID 54962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).