2-(3-fluoropropyl)-1,4-dimethoxybenzene

C11H15FO2 — CID 83938230

IUPAC2-(3-fluoropropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(CCCF)c1
InChIInChI=1S/C11H15FO2/c1-13-10-5-6-11(14-2)9(8-10)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQDJQPGYJVKDAGI-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-fluoropropyl)-1,4-dimethoxybenzene

2-(3-fluoropropyl)-1,4-dimethoxybenzene (PubChem CID 83938230) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1,4-dimethoxybenzene
PubChem CID83938230
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-(3-fluoropropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(CCCF)c1
InChIInChI=1S/C11H15FO2/c1-13-10-5-6-11(14-2)9(8-10)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQDJQPGYJVKDAGI-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethoxy-2-[3-(sulfinatoamino)propyl]benzene
CID 57145457
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(3-fluoropropyl)-1,4-dimethoxybenzene (CID 83938230) is 2-(3-fluoropropyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(3-fluoropropyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(3-fluoropropyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(CCCF)c1.
What is the InChIKey of 2-(3-fluoropropyl)-1,4-dimethoxybenzene?
The InChIKey is QDJQPGYJVKDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-13-10-5-6-11(14-2)9(8-10)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-fluoropropyl)-1,4-dimethoxybenzene?
2-(3-fluoropropyl)-1,4-dimethoxybenzene has a molecular weight of 198.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 83938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).