2,2,2-trifluoro-1-methoxyethanamine

C3H6F3NO — CID 55289270

IUPAC2,2,2-trifluoro-1-methoxyethanamine
SMILESCOC(N)C(F)(F)F
InChIInChI=1S/C3H6F3NO/c1-8-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyWLPOKHVWOLRDOW-UHFFFAOYSA-N
MW129.08 g/mol
LogP0.48
Rot. Bonds1

About 2,2,2-trifluoro-1-methoxyethanamine

2,2,2-trifluoro-1-methoxyethanamine (PubChem CID 55289270) has the molecular formula C3H6F3NO and a molecular weight of 129.08 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxyethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxyethanamine
PubChem CID55289270
Molecular FormulaC3H6F3NO
Molecular Weight129.08 g/mol
Exact Mass129.04
IUPAC Name2,2,2-trifluoro-1-methoxyethanamine
SMILESCOC(N)C(F)(F)F
InChIInChI=1S/C3H6F3NO/c1-8-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyWLPOKHVWOLRDOW-UHFFFAOYSA-N
XLogP0.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 50.48
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

1-(Difluoromethoxy)ethanamine
CID 84715995
1-Ethoxy-2,2,2-trifluoroethanamine
CID 87090448
1-(Trifluoromethoxy)ethanamine
CID 117601877
1-(Trifluoromethoxy)ethanamine;hydrochloride
CID 117602367
1-(Trifluoromethoxy)propan-1-amine
CID 155234979
Tris(rutherfordium);(1,2,2-trifluoro-2-methoxyethyl)azanide
CID 160120815
O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine
CID 163649333
2,2-Difluoro-2-methoxyethan-1-amine
CID 167740836
(1S)-1-(trifluoromethoxy)propan-1-amine
CID 169810029
(1S)-1-(difluoromethoxy)propan-1-amine
CID 169810030
(1S)-1-(fluoromethoxy)ethanamine
CID 173966815
N-(disulfanyl)-2,2,2-trifluoro-1-methoxyethanamine
CID 175620709

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxyethanamine?
The IUPAC name of 2,2,2-trifluoro-1-methoxyethanamine (CID 55289270) is 2,2,2-trifluoro-1-methoxyethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxyethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-methoxyethanamine is COC(N)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxyethanamine?
The InChIKey is WLPOKHVWOLRDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO/c1-8-2(7)3(4,5)6/h2H,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxyethanamine?
2,2,2-trifluoro-1-methoxyethanamine has a molecular weight of 129.08 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxyethanamine is sourced from PubChem (CID 55289270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).