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

C9H18F3NO2 — CID 62336502

IUPACN-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-2-3-13-4-5-14-6-7-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyKISNTLMQPPONDZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.58
Rot. Bonds9

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

N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 62336502) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine
PubChem CID62336502
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC NameN-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-2-3-13-4-5-14-6-7-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyKISNTLMQPPONDZ-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.58
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 59028600
CID 59028600
CID 62582651
CID 62582651
CID 65806235
CID 65806235
CID 89034998
CID 89034998
CID 104760288
CID 104760288
CID 117790512
CID 117790512
CID 131050605
CID 131050605
CID 131993602
CID 131993602
CID 131993604
CID 131993604
CID 135213114
CID 135213114
CID 138467557
CID 138467557
CID 142616241
CID 142616241

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine (CID 62336502) is N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCC(F)(F)F.
What is the InChIKey of N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is KISNTLMQPPONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-2-3-13-4-5-14-6-7-15-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 62336502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).