4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene

C15H11Cl2F — CID 58006826

IUPAC4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
SMILESC/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F/c1-10(8-11-2-4-12(16)5-3-11)14-7-6-13(17)9-15(14)18/h2-9H,1H3/b10-8+
InChIKeyDVZNSUZKQUDWNC-CSKARUKUSA-N
MW281.16 g/mol
LogP5.69
Rot. Bonds2

About 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene

4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene (PubChem CID 58006826) has the molecular formula C15H11Cl2F and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
PubChem CID58006826
Molecular FormulaC15H11Cl2F
Molecular Weight281.16 g/mol
Exact Mass280.02
IUPAC Name4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
SMILESC/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F/c1-10(8-11-2-4-12(16)5-3-11)14-7-6-13(17)9-15(14)18/h2-9H,1H3/b10-8+
InChIKeyDVZNSUZKQUDWNC-CSKARUKUSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.16
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
CID 155704173
(E)-4-(3-chloro-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090853
2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
CID 140813804
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide
CID 10400156
(Z)-3-(chloromethyl)-4-(4-chlorophenyl)but-3-en-2-one
CID 11458843
1-(5-chloro-2-fluorophenyl)-3-methylbut-2-en-1-one
CID 114885060
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
(E)-1-(4-chloro-2-fluorophenyl)pent-2-en-1-one
CID 103454310
2-[(Z)-3-chloro-1-(4-chlorophenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68778468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene (CID 58006826) is 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene is C/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene?
The InChIKey is DVZNSUZKQUDWNC-CSKARUKUSA-N. The full InChI is InChI=1S/C15H11Cl2F/c1-10(8-11-2-4-12(16)5-3-11)14-7-6-13(17)9-15(14)18/h2-9H,1H3/b10-8+.
What are the key properties of 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene?
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene has a molecular weight of 281.16 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene is sourced from PubChem (CID 58006826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).