3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine

C8H16F3NO — CID 106452004

IUPAC3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-6-13-7-5-12-4-3-8(9,10)11/h12H,2-7H2,1H3
InChIKeyLFGBUGCLNKITNE-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.96
Rot. Bonds7

About 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine

3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine (PubChem CID 106452004) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
PubChem CID106452004
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-6-13-7-5-12-4-3-8(9,10)11/h12H,2-7H2,1H3
InChIKeyLFGBUGCLNKITNE-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
CID 79479154
N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
CID 65024374
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine (CID 106452004) is 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine is CCCOCCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine?
The InChIKey is LFGBUGCLNKITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-6-13-7-5-12-4-3-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine?
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine is sourced from PubChem (CID 106452004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).