1-ethoxy-2,2,2-trifluoroethanamine

C4H8F3NO — CID 87090448

IUPAC1-ethoxy-2,2,2-trifluoroethanamine
SMILESCCOC(N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-9-3(8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyULFYEUAKDPJHDB-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.87
Rot. Bonds2

About 1-ethoxy-2,2,2-trifluoroethanamine

1-ethoxy-2,2,2-trifluoroethanamine (PubChem CID 87090448) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1-ethoxy-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-ethoxy-2,2,2-trifluoroethanamine
PubChem CID87090448
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1-ethoxy-2,2,2-trifluoroethanamine
SMILESCCOC(N)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-9-3(8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyULFYEUAKDPJHDB-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-1-methoxyethanamine
CID 55289270
1-ethoxy-2,2,2-trifluoro-N-methylethanamine
CID 58790311
N-(ethoxymethyl)-2,2,2-trifluoroethanamine
CID 87275278
3-Ethoxy-2,2-difluoropropan-1-amine
CID 105428008
1-(2,2,2-Trifluoroethoxy)ethanamine
CID 123896684
1-butoxy-2,2,2-trifluoro-N-methylethanamine
CID 140129732
1-(2,2,2-Trifluoroethoxy)ethanamine;hydrochloride
CID 153326086
1-(Trifluoromethoxy)propan-1-amine
CID 155234979
1-[(2R)-3,3-difluorobutan-2-yl]oxypropan-1-amine
CID 163789407
(1S)-1-(trifluoromethoxy)propan-1-amine
CID 169810029
(1S)-1-(difluoromethoxy)propan-1-amine
CID 169810030
1-(1,1-Difluoro-2-methylpropoxy)ethanamine
CID 170382207

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2,2-trifluoroethanamine?
The IUPAC name of 1-ethoxy-2,2,2-trifluoroethanamine (CID 87090448) is 1-ethoxy-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-ethoxy-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-ethoxy-2,2,2-trifluoroethanamine is CCOC(N)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2,2,2-trifluoroethanamine?
The InChIKey is ULFYEUAKDPJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-2-9-3(8)4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 1-ethoxy-2,2,2-trifluoroethanamine?
1-ethoxy-2,2,2-trifluoroethanamine has a molecular weight of 143.11 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,2-trifluoroethanamine is sourced from PubChem (CID 87090448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).