2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane

C26H37Cl2F — CID 160939862

IUPAC2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane
SMILESC.C.C/C(=C\C(C)C)c1ccc(Cl)cc1Cl.C/C(=C\C(C)C)c1ccccc1F
InChIInChI=1S/C12H14Cl2.C12H15F.2CH4/c1-8(2)6-9(3)11-5-4-10(13)7-12(11)14;1-9(2)8-10(3)11-6-4-5-7-12(11)13;;/h4-8H,1-3H3;4-9H,1-3H3;2*1H4/b9-6+;10-8+;;
InChIKeySUJCLXKOOQBTHH-IOHNKATNSA-N
MW439.49 g/mol
LogP10.21
Rot. Bonds4

About 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane

2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane (PubChem CID 160939862) has the molecular formula C26H37Cl2F and a molecular weight of 439.49 g/mol. Its IUPAC name is 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane.

Molecular Properties

Compound Name2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane
PubChem CID160939862
Molecular FormulaC26H37Cl2F
Molecular Weight439.49 g/mol
Exact Mass438.23
IUPAC Name2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane
SMILESC.C.C/C(=C\C(C)C)c1ccc(Cl)cc1Cl.C/C(=C\C(C)C)c1ccccc1F
InChIInChI=1S/C12H14Cl2.C12H15F.2CH4/c1-8(2)6-9(3)11-5-4-10(13)7-12(11)14;1-9(2)8-10(3)11-6-4-5-7-12(11)13;;/h4-8H,1-3H3;4-9H,1-3H3;2*1H4/b9-6+;10-8+;;
InChIKeySUJCLXKOOQBTHH-IOHNKATNSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
CID 163539195
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
CID 79003877
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
3-(2-fluorophenyl)but-2-enenitrile
CID 76913879
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
N-[2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]ethyl]-2-fluorobenzamide
CID 55974574

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane?
The IUPAC name of 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane (CID 160939862) is 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane.
What is the SMILES notation for 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane?
The canonical SMILES for 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane is C.C.C/C(=C\C(C)C)c1ccc(Cl)cc1Cl.C/C(=C\C(C)C)c1ccccc1F.
What is the InChIKey of 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane?
The InChIKey is SUJCLXKOOQBTHH-IOHNKATNSA-N. The full InChI is InChI=1S/C12H14Cl2.C12H15F.2CH4/c1-8(2)6-9(3)11-5-4-10(13)7-12(11)14;1-9(2)8-10(3)11-6-4-5-7-12(11)13;;/h4-8H,1-3H3;4-9H,1-3H3;2*1H4/b9-6+;10-8+;;.
What are the key properties of 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane?
2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane has a molecular weight of 439.49 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane is sourced from PubChem (CID 160939862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).