2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene

C10H9Cl2FO — CID 79173807

IUPAC2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCC(Cl)=CCl)c1
InChIInChI=1S/C10H9Cl2FO/c1-7-2-3-9(13)10(4-7)14-6-8(12)5-11/h2-5H,6H2,1H3
InChIKeyCAHKDKCJFWZNMN-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.83
Rot. Bonds3

About 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene

2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene (PubChem CID 79173807) has the molecular formula C10H9Cl2FO and a molecular weight of 235.09 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
PubChem CID79173807
Molecular FormulaC10H9Cl2FO
Molecular Weight235.09 g/mol
Exact Mass234.00
IUPAC Name2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCC(Cl)=CCl)c1
InChIInChI=1S/C10H9Cl2FO/c1-7-2-3-9(13)10(4-7)14-6-8(12)5-11/h2-5H,6H2,1H3
InChIKeyCAHKDKCJFWZNMN-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
4-(2-fluoro-5-methylphenoxy)-3-methylbut-2-enoic acid
CID 77053772
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107688427
2-bromo-1-(2,3-dichloroprop-2-enoxy)-4-fluorobenzene
CID 79168336

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene (CID 79173807) is 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(OCC(Cl)=CCl)c1.
What is the InChIKey of 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene?
The InChIKey is CAHKDKCJFWZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO/c1-7-2-3-9(13)10(4-7)14-6-8(12)5-11/h2-5H,6H2,1H3.
What are the key properties of 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene?
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene has a molecular weight of 235.09 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 79173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).