2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol

C9H9ClFNO — CID 117290378

IUPAC2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
SMILESNC/C=C/c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H9ClFNO/c10-8-5-7(11)4-6(9(8)13)2-1-3-12/h1-2,4-5,13H,3,12H2/b2-1+
InChIKeyUPXFPZPCHBLQCE-OWOJBTEDSA-N
MW201.63 g/mol
LogP2.16
Rot. Bonds2

About 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol

2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol (PubChem CID 117290378) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
PubChem CID117290378
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
SMILESNC/C=C/c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H9ClFNO/c10-8-5-7(11)4-6(9(8)13)2-1-3-12/h1-2,4-5,13H,3,12H2/b2-1+
InChIKeyUPXFPZPCHBLQCE-OWOJBTEDSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol (CID 117290378) is 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol is NC/C=C/c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol?
The InChIKey is UPXFPZPCHBLQCE-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-5-7(11)4-6(9(8)13)2-1-3-12/h1-2,4-5,13H,3,12H2/b2-1+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol?
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol has a molecular weight of 201.63 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol is sourced from PubChem (CID 117290378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).