(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol

C13H15BrFNO — CID 129134958

IUPAC(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol
SMILESC/C(=C\N/C=C(\C)c1ccc(Br)cc1F)CO
InChIInChI=1S/C13H15BrFNO/c1-9(8-17)6-16-7-10(2)12-4-3-11(14)5-13(12)15/h3-7,16-17H,8H2,1-2H3/b9-6+,10-7+
InChIKeyWJPQOSRVNVQJFK-KZZDLZNXSA-N
MW300.17 g/mol
LogP3.43
Rot. Bonds4

About (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol

(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol (PubChem CID 129134958) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol
PubChem CID129134958
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol
SMILESC/C(=C\N/C=C(\C)c1ccc(Br)cc1F)CO
InChIInChI=1S/C13H15BrFNO/c1-9(8-17)6-16-7-10(2)12-4-3-11(14)5-13(12)15/h3-7,16-17H,8H2,1-2H3/b9-6+,10-7+
InChIKeyWJPQOSRVNVQJFK-KZZDLZNXSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol?
The IUPAC name of (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol (CID 129134958) is (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol?
The canonical SMILES for (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol is C/C(=C\N/C=C(\C)c1ccc(Br)cc1F)CO.
What is the InChIKey of (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol?
The InChIKey is WJPQOSRVNVQJFK-KZZDLZNXSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9(8-17)6-16-7-10(2)12-4-3-11(14)5-13(12)15/h3-7,16-17H,8H2,1-2H3/b9-6+,10-7+.
What are the key properties of (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol?
(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol has a molecular weight of 300.17 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 129134958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).