(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine

C10H11ClFNO — CID 59588962

IUPAC(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(/F)COc1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO/c11-8-2-1-3-10(6-8)14-7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4+
InChIKeyQQPARXACSPKGBW-RUDMXATFSA-N
MW215.66 g/mol
LogP2.53
Rot. Bonds4

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

(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine (PubChem CID 59588962) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine
PubChem CID59588962
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(/F)COc1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO/c11-8-2-1-3-10(6-8)14-7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4+
InChIKeyQQPARXACSPKGBW-RUDMXATFSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine?
The IUPAC name of (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine (CID 59588962) is (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine?
The canonical SMILES for (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine is NC/C=C(/F)COc1cccc(Cl)c1.
What is the InChIKey of (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine?
The InChIKey is QQPARXACSPKGBW-RUDMXATFSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-2-1-3-10(6-8)14-7-9(12)4-5-13/h1-4,6H,5,7,13H2/b9-4+.
What are the key properties of (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine?
(E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine has a molecular weight of 215.66 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-chlorophenoxy)-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 59588962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).