1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine

C15H15Cl2FN2 — CID 58006950

IUPAC1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3
InChIKeyZRWYPTGXUYFXRE-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine

1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (PubChem CID 58006950) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
PubChem CID58006950
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3
InChIKeyZRWYPTGXUYFXRE-UHFFFAOYSA-N
XLogP4.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (CID 58006950) is 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is CC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The InChIKey is ZRWYPTGXUYFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-15(20,10-3-5-11(16)6-4-10)14(19)9-2-7-12(17)13(18)8-9/h2-8,14H,19-20H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine has a molecular weight of 313.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is sourced from PubChem (CID 58006950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).