1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine

C13H26F3NO2 — CID 167191633

IUPAC1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
SMILESCCCCCOCCOCCNC(CC)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyRACSUQOUVGZVJA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds12

About 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine

1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine (PubChem CID 167191633) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
PubChem CID167191633
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
SMILESCCCCCOCCOCCNC(CC)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyRACSUQOUVGZVJA-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 141198660
CID 141198660
CID 141688309
CID 141688309
CID 142616241
CID 142616241
CID 155183422
CID 155183422
CID 155459777
CID 155459777
CID 155582675
CID 155582675
CID 155706892
CID 155706892
CID 155740875
CID 155740875
CID 157155082
CID 157155082
CID 157155085
CID 157155085
CID 157155087
CID 157155087
CID 158718751
CID 158718751

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine (CID 167191633) is 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine is CCCCCOCCOCCNC(CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The InChIKey is RACSUQOUVGZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 167191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).