1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene

C15H11Cl2F — CID 175932173

IUPAC1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene
SMILESFc1ccc(C(Cl)=CCc2ccccc2Cl)cc1
InChIInChI=1S/C15H11Cl2F/c16-14-4-2-1-3-11(14)7-10-15(17)12-5-8-13(18)9-6-12/h1-6,8-10H,7H2
InChIKeyXKHIBUWERCOFBX-UHFFFAOYSA-N
MW281.16 g/mol
LogP5.30
Rot. Bonds3

About 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene

1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene (PubChem CID 175932173) has the molecular formula C15H11Cl2F and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene
PubChem CID175932173
Molecular FormulaC15H11Cl2F
Molecular Weight281.16 g/mol
Exact Mass280.02
IUPAC Name1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene
SMILESFc1ccc(C(Cl)=CCc2ccccc2Cl)cc1
InChIInChI=1S/C15H11Cl2F/c16-14-4-2-1-3-11(14)7-10-15(17)12-5-8-13(18)9-6-12/h1-6,8-10H,7H2
InChIKeyXKHIBUWERCOFBX-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.16
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one
CID 103291170
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-en-1-ol
CID 14497611
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
CID 123134509
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
2-(2-chlorophenyl)-N-methylethanimine
CID 143112738
5-(2-chlorophenyl)pent-3-en-1-ol
CID 123893185
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
(E)-4-(2-chlorophenyl)but-2-en-1-amine
CID 105439817
1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907964

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene?
The IUPAC name of 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene (CID 175932173) is 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene?
The canonical SMILES for 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene is Fc1ccc(C(Cl)=CCc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene?
The InChIKey is XKHIBUWERCOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F/c16-14-4-2-1-3-11(14)7-10-15(17)12-5-8-13(18)9-6-12/h1-6,8-10H,7H2.
What are the key properties of 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene?
1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene has a molecular weight of 281.16 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-chloro-3-(4-fluorophenyl)prop-2-enyl]benzene is sourced from PubChem (CID 175932173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).