1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene

C11H12F2O2 — CID 123625803

IUPAC1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(CC=CF)cc1OC
InChIInChI=1S/C11H12F2O2/c1-14-10-6-8(4-3-5-12)9(13)7-11(10)15-2/h3,5-7H,4H2,1-2H3
InChIKeyKIJBZQXBUINDLZ-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.87
Rot. Bonds4

About 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene

1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene (PubChem CID 123625803) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene
PubChem CID123625803
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(CC=CF)cc1OC
InChIInChI=1S/C11H12F2O2/c1-14-10-6-8(4-3-5-12)9(13)7-11(10)15-2/h3,5-7H,4H2,1-2H3
InChIKeyKIJBZQXBUINDLZ-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid
CID 67984232
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]oxirane
CID 83922764
1-fluoro-4,5-dimethoxy-2-(2-methylpent-3-ynyl)benzene
CID 83922757
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 174237959
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
CID 89110154
CID 89110154

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene?
The IUPAC name of 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene (CID 123625803) is 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene.
What is the SMILES notation for 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene?
The canonical SMILES for 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene is COc1cc(F)c(CC=CF)cc1OC.
What is the InChIKey of 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene?
The InChIKey is KIJBZQXBUINDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-14-10-6-8(4-3-5-12)9(13)7-11(10)15-2/h3,5-7H,4H2,1-2H3.
What are the key properties of 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene?
1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene has a molecular weight of 214.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-fluoroprop-2-enyl)-4,5-dimethoxybenzene is sourced from PubChem (CID 123625803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).