2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine

C11H11F4NO — CID 66982486

IUPAC2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNCC(F)=CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c12-9(7-16)4-5-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2
InChIKeyIOQRNAXGDHTRMT-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.90
Rot. Bonds4

About 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine

2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine (PubChem CID 66982486) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine.

Molecular Properties

Compound Name2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
PubChem CID66982486
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNCC(F)=CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c12-9(7-16)4-5-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2
InChIKeyIOQRNAXGDHTRMT-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol
CID 70190351
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
CID 59626106
CID 59626106
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The IUPAC name of 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine (CID 66982486) is 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine.
What is the SMILES notation for 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The canonical SMILES for 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine is NCC(F)=CCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The InChIKey is IOQRNAXGDHTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9(7-16)4-5-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2.
What are the key properties of 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine has a molecular weight of 249.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine is sourced from PubChem (CID 66982486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).