3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine

C11H13F3N2O — CID 57132572

IUPAC3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
SMILESNCC(F)CONC(=C(F)F)c1ccccc1
InChIInChI=1S/C11H13F3N2O/c12-9(6-15)7-17-16-10(11(13)14)8-4-2-1-3-5-8/h1-5,9,16H,6-7,15H2
InChIKeyIMWONQFQMWXAEE-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.07
Rot. Bonds6

About 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine

3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine (PubChem CID 57132572) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
PubChem CID57132572
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
SMILESNCC(F)CONC(=C(F)F)c1ccccc1
InChIInChI=1S/C11H13F3N2O/c12-9(6-15)7-17-16-10(11(13)14)8-4-2-1-3-5-8/h1-5,9,16H,6-7,15H2
InChIKeyIMWONQFQMWXAEE-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyl(ethoxy)amine
CID 18794272
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 54359408
Methoxy({1-[3-(trifluoromethyl)phenyl]ethyl})amine hydrochloride
CID 122164184
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine?
The IUPAC name of 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine (CID 57132572) is 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine.
What is the SMILES notation for 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine?
The canonical SMILES for 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine is NCC(F)CONC(=C(F)F)c1ccccc1.
What is the InChIKey of 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine?
The InChIKey is IMWONQFQMWXAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-9(6-15)7-17-16-10(11(13)14)8-4-2-1-3-5-8/h1-5,9,16H,6-7,15H2.
What are the key properties of 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine?
3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine has a molecular weight of 246.23 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine is sourced from PubChem (CID 57132572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).