2-(3,3,3-trifluoropropoxy)ethanamine

C5H10F3NO — CID 58684511

IUPAC2-(3,3,3-trifluoropropoxy)ethanamine
SMILESNCCOCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)1-3-10-4-2-9/h1-4,9H2
InChIKeyQLNRHOVDUIEHJV-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds4

About 2-(3,3,3-trifluoropropoxy)ethanamine

2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 58684511) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID58684511
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-(3,3,3-trifluoropropoxy)ethanamine
SMILESNCCOCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)1-3-10-4-2-9/h1-4,9H2
InChIKeyQLNRHOVDUIEHJV-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.91
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

2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
3-(2,2,2-Trifluoroethoxy)propan-1-amine hydrochloride
CID 42941139
3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(Difluoromethoxy)propan-1-amine
CID 75488618
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)propan-1-amine
CID 84716057
(2S)-1-(trifluoromethoxy)propan-2-amine hydrochloride
CID 121000302
2-(2,2-Difluorocyclopropoxy)ethan-1-amine
CID 121207600
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
(2R)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446094

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)ethanamine (CID 58684511) is 2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)ethanamine is NCCOCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is QLNRHOVDUIEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)1-3-10-4-2-9/h1-4,9H2.
What are the key properties of 2-(3,3,3-trifluoropropoxy)ethanamine?
2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 58684511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).