N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine

C11H22F3NO2 — CID 142616241

IUPACN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
SMILESCCCCOCCOCCNC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-4-6-16-8-9-17-7-5-15-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyWMLAALCHVWHTPU-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds10

About N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine

N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine (PubChem CID 142616241) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
PubChem CID142616241
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
SMILESCCCCOCCOCCNC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-4-6-16-8-9-17-7-5-15-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyWMLAALCHVWHTPU-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
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

N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492430
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 62342201
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
CID 135213114
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 138467557
1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 142616381
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 155183422
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155582675
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155706892
N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
CID 155740875
2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine
CID 155751803

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine (CID 142616241) is N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine is CCCCOCCOCCNC(C)C(F)(F)F.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is WMLAALCHVWHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-4-6-16-8-9-17-7-5-15-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine?
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 142616241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).