(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine

C9H7BrClF3N2 — CID 129101415

IUPAC(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine
SMILESN/C(=C\Nc1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C9H7BrClF3N2/c10-6-3-5(11)1-2-7(6)16-4-8(15)9(12,13)14/h1-4,16H,15H2/b8-4-
InChIKeyQESCZULSSOKLNG-YWEYNIOJSA-N
MW315.52 g/mol
LogP3.88
Rot. Bonds2

About (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine

(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine (PubChem CID 129101415) has the molecular formula C9H7BrClF3N2 and a molecular weight of 315.52 g/mol. Its IUPAC name is (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine
PubChem CID129101415
Molecular FormulaC9H7BrClF3N2
Molecular Weight315.52 g/mol
Exact Mass313.94
IUPAC Name(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine
SMILESN/C(=C\Nc1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C9H7BrClF3N2/c10-6-3-5(11)1-2-7(6)16-4-8(15)9(12,13)14/h1-4,16H,15H2/b8-4-
InChIKeyQESCZULSSOKLNG-YWEYNIOJSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine (CID 129101415) is (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine is N/C(=C\Nc1ccc(Cl)cc1Br)C(F)(F)F.
What is the InChIKey of (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The InChIKey is QESCZULSSOKLNG-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H7BrClF3N2/c10-6-3-5(11)1-2-7(6)16-4-8(15)9(12,13)14/h1-4,16H,15H2/b8-4-.
What are the key properties of (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine?
(Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine has a molecular weight of 315.52 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(2-bromo-4-chlorophenyl)-3,3,3-trifluoroprop-1-ene-1,2-diamine is sourced from PubChem (CID 129101415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).