1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene

C14H17Cl2FO2 — CID 18725379

IUPAC1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene
SMILESCCc1cc(OCC=C(Cl)Cl)c(F)c(CC)c1OC
InChIInChI=1S/C14H17Cl2FO2/c1-4-9-8-11(19-7-6-12(15)16)13(17)10(5-2)14(9)18-3/h6,8H,4-5,7H2,1-3H3
InChIKeyKYZLHXKNYUZFOH-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.66
Rot. Bonds6

About 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene

1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene (PubChem CID 18725379) has the molecular formula C14H17Cl2FO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene
PubChem CID18725379
Molecular FormulaC14H17Cl2FO2
Molecular Weight307.19 g/mol
Exact Mass306.06
IUPAC Name1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene
SMILESCCc1cc(OCC=C(Cl)Cl)c(F)c(CC)c1OC
InChIInChI=1S/C14H17Cl2FO2/c1-4-9-8-11(19-7-6-12(15)16)13(17)10(5-2)14(9)18-3/h6,8H,4-5,7H2,1-3H3
InChIKeyKYZLHXKNYUZFOH-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-
CID 138501
6-Methoxy-2H-1-benzopyran
CID 29052
1,4-Dimethoxy-2-methyl-5-(prop-1-en-2-yl)benzene
CID 14485987
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)-3,5-diethyl-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene (CID 18725379) is 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene is CCc1cc(OCC=C(Cl)Cl)c(F)c(CC)c1OC.
What is the InChIKey of 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene?
The InChIKey is KYZLHXKNYUZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FO2/c1-4-9-8-11(19-7-6-12(15)16)13(17)10(5-2)14(9)18-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene?
1-(3,3-dichloroprop-2-enoxy)-3,5-diethyl-2-fluoro-4-methoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.66, 6 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)-3,5-diethyl-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 18725379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).