(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine

C10H10F3NO — CID 42624093

IUPAC(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F3NO/c11-7(3-4-14)6-15-8-1-2-9(12)10(13)5-8/h1-3,5H,4,6,14H2/b7-3+
InChIKeyWASPRTQJQMWTAE-XVNBXDOJSA-N
MW217.19 g/mol
LogP2.16
Rot. Bonds4

About (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine

(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine (PubChem CID 42624093) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
PubChem CID42624093
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(F)c(F)c1
InChIInChI=1S/C10H10F3NO/c11-7(3-4-14)6-15-8-1-2-9(12)10(13)5-8/h1-3,5H,4,6,14H2/b7-3+
InChIKeyWASPRTQJQMWTAE-XVNBXDOJSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine?
The IUPAC name of (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine (CID 42624093) is (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine?
The canonical SMILES for (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine is NC/C=C(/F)COc1ccc(F)c(F)c1.
What is the InChIKey of (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine?
The InChIKey is WASPRTQJQMWTAE-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-7(3-4-14)6-15-8-1-2-9(12)10(13)5-8/h1-3,5H,4,6,14H2/b7-3+.
What are the key properties of (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine?
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine has a molecular weight of 217.19 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 42624093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).