2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol

C11H22F3NO2 — CID 106810681

IUPAC2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-2-10(15,9-16)5-3-7-17-8-4-6-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyLCSVXSLXUKNSFN-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.23
Rot. Bonds9

About 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol

2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol (PubChem CID 106810681) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol
PubChem CID106810681
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-2-10(15,9-16)5-3-7-17-8-4-6-11(12,13)14/h16H,2-9,15H2,1H3
InChIKeyLCSVXSLXUKNSFN-UHFFFAOYSA-N
XLogP2.23
TPSA55.48 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 ≤ 52.23
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 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol (CID 106810681) is 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol is CCC(N)(CO)CCCOCCCC(F)(F)F.
What is the InChIKey of 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol?
The InChIKey is LCSVXSLXUKNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-2-10(15,9-16)5-3-7-17-8-4-6-11(12,13)14/h16H,2-9,15H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol?
2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol is sourced from PubChem (CID 106810681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).