1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene

C12H13Cl2FO2 — CID 18725378

IUPAC1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene
SMILESCOc1c(C)cc(OCC=C(Cl)Cl)c(F)c1C
InChIInChI=1S/C12H13Cl2FO2/c1-7-6-9(17-5-4-10(13)14)11(15)8(2)12(7)16-3/h4,6H,5H2,1-3H3
InChIKeyKERQCPXDSQGFLX-UHFFFAOYSA-N
MW279.14 g/mol
LogP4.15
Rot. Bonds4

About 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene

1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene (PubChem CID 18725378) has the molecular formula C12H13Cl2FO2 and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene
PubChem CID18725378
Molecular FormulaC12H13Cl2FO2
Molecular Weight279.14 g/mol
Exact Mass278.03
IUPAC Name1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene
SMILESCOc1c(C)cc(OCC=C(Cl)Cl)c(F)c1C
InChIInChI=1S/C12H13Cl2FO2/c1-7-6-9(17-5-4-10(13)14)11(15)8(2)12(7)16-3/h4,6H,5H2,1-3H3
InChIKeyKERQCPXDSQGFLX-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethoxytoluene
CID 90552
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
6-Methoxy-2,2-dimethyl-2H-1-benzopyran
CID 11745424
6-Methoxy-2H-1-benzopyran
CID 29052
1,4-Bis(chloromethyl)-2,5-diethoxy-benzene
CID 230529
2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene
CID 4233009
2,5-Bis(chloromethyl)-1-methoxy-4-(3',7'-dimethyloctyloxy)benzene
CID 5141695
2,6-Bis(chloromethyl)-1,4-dimethoxybenzene
CID 44629789
2-Allyl-1-ethoxy-4-methoxybenzene (4b)
CID 24770153
2-Allyl-1-butoxy-4-methoxybenzene (4e)
CID 24770791
2-Allyl-1-isopropoxy-4-methoxybenzene (4d)
CID 52913561
2-Allyl-1-sec-butoxy-4-methoxybenzene (4f)
CID 129010802

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene?
The IUPAC name of 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene (CID 18725378) is 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene?
The canonical SMILES for 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene is COc1c(C)cc(OCC=C(Cl)Cl)c(F)c1C.
What is the InChIKey of 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene?
The InChIKey is KERQCPXDSQGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FO2/c1-7-6-9(17-5-4-10(13)14)11(15)8(2)12(7)16-3/h4,6H,5H2,1-3H3.
What are the key properties of 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene?
1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene has a molecular weight of 279.14 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloroprop-2-enoxy)-2-fluoro-4-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 18725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).