(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine

C14H20FNO — CID 42624095

IUPAC(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine
SMILESCC(C)(C)c1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+
InChIKeyFCYOQNRECMAIAJ-XYOKQWHBSA-N
MW237.32 g/mol
LogP3.17
Rot. Bonds4

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

(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine (PubChem CID 42624095) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine
PubChem CID42624095
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine
SMILESCC(C)(C)c1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+
InChIKeyFCYOQNRECMAIAJ-XYOKQWHBSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine?
The IUPAC name of (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine (CID 42624095) is (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine?
The canonical SMILES for (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine is CC(C)(C)c1ccc(OC/C(F)=C\CN)cc1.
What is the InChIKey of (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine?
The InChIKey is FCYOQNRECMAIAJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+.
What are the key properties of (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine?
(E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-tert-butylphenoxy)-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 42624095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).