1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene

C9H7Cl2FO — CID 82706845

IUPAC1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
SMILESFc1cc(OC/C=C/Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2FO/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h1-4,6H,5H2/b4-1+
InChIKeyNVWGVSSFJZKSSP-DAFODLJHSA-N
MW221.06 g/mol
LogP3.61
Rot. Bonds3

About 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene

1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene (PubChem CID 82706845) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
PubChem CID82706845
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene
SMILESFc1cc(OC/C=C/Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2FO/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h1-4,6H,5H2/b4-1+
InChIKeyNVWGVSSFJZKSSP-DAFODLJHSA-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

1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
(1R)-1-[4-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718193
ethyl (E)-4-(4-chloro-3-fluorophenoxy)but-2-enoate
CID 82706563
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
CID 155717110
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluoroaniline
CID 139226452
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
1-(3-chloroprop-2-enoxy)-3-methylbenzene
CID 554611
4-chloro-3-[(E)-3-chloroprop-2-enoxy]aniline
CID 107899501

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene (CID 82706845) is 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene is Fc1cc(OC/C=C/Cl)ccc1Cl.
What is the InChIKey of 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene?
The InChIKey is NVWGVSSFJZKSSP-DAFODLJHSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h1-4,6H,5H2/b4-1+.
What are the key properties of 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene?
1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-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 1-chloro-4-[(E)-3-chloroprop-2-enoxy]-2-fluorobenzene is sourced from PubChem (CID 82706845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).