2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene

C9H7Cl2FO — CID 130701896

IUPAC2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
SMILESC=C(Cl)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7Cl2FO/c1-6(10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,1,5H2
InChIKeyUUHRMBXEDHXXJC-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.61
Rot. Bonds3

About 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene

2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene (PubChem CID 130701896) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
PubChem CID130701896
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
SMILESC=C(Cl)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7Cl2FO/c1-6(10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,1,5H2
InChIKeyUUHRMBXEDHXXJC-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 83231625
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene (CID 130701896) is 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene is C=C(Cl)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene?
The InChIKey is UUHRMBXEDHXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c1-6(10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,1,5H2.
What are the key properties of 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene?
2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene has a molecular weight of 221.06 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene is sourced from PubChem (CID 130701896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).