3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine

C10H20F3NO2 — CID 82958428

IUPAC3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-15-7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,2-9H2,1H3
InChIKeyWSSZJYTUAOUQIU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds10

About 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine (PubChem CID 82958428) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
PubChem CID82958428
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-15-7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,2-9H2,1H3
InChIKeyWSSZJYTUAOUQIU-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
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-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276197
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine (CID 82958428) is 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine is CCOCCCNCCOCCC(F)(F)F.
What is the InChIKey of 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine?
The InChIKey is WSSZJYTUAOUQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-2-15-7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,2-9H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 82958428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).