(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine

C9H8Cl2FN — CID 166922645

IUPAC(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine
SMILESC/C(F)=C(\N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2FN/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-4H,13H2,1H3/b9-5+
InChIKeyHPKGSMRMXLJVMC-WEVVVXLNSA-N
MW220.07 g/mol
LogP3.61
Rot. Bonds1

About (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine

(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine (PubChem CID 166922645) has the molecular formula C9H8Cl2FN and a molecular weight of 220.07 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine
PubChem CID166922645
Molecular FormulaC9H8Cl2FN
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine
SMILESC/C(F)=C(\N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2FN/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-4H,13H2,1H3/b9-5+
InChIKeyHPKGSMRMXLJVMC-WEVVVXLNSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine (CID 166922645) is (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine is C/C(F)=C(\N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine?
The InChIKey is HPKGSMRMXLJVMC-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H8Cl2FN/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-4H,13H2,1H3/b9-5+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine?
(E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine has a molecular weight of 220.07 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-2-fluoroprop-1-en-1-amine is sourced from PubChem (CID 166922645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).