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

C11H11F4NO — CID 42624097

IUPAC(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+
InChIKeyOWBAPWDINBFKSK-RUDMXATFSA-N
MW249.21 g/mol
LogP2.90
Rot. Bonds4

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

(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine (PubChem CID 42624097) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
PubChem CID42624097
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+
InChIKeyOWBAPWDINBFKSK-RUDMXATFSA-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

2-(4-Ethoxyphenyl)ethan-1-amine
CID 143354
1-(3-Isopropoxyphenyl)methanamine
CID 2760935
Benzene, 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-
CID 74438
(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 13320111
(E)-3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 13958757
3-(3-(Cyclohexylmethoxy)phenyl)propan-1-amine
CID 25255401
(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
CID 42623611
(E)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624010
(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 42624011
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
CID 42624093
(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine
CID 42624095
3-Fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine (CID 42624097) is (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine is NC/C=C(/F)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The InChIKey is OWBAPWDINBFKSK-RUDMXATFSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9(4-5-16)7-17-10-3-1-2-8(6-10)11(13,14)15/h1-4,6H,5,7,16H2/b9-4+.
What are the key properties of (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine?
(E)-3-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 (E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine is sourced from PubChem (CID 42624097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).