3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene

C12H12F2O — CID 142647860

IUPAC3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(F)c1C1CC=CC1
InChIInChI=1S/C12H12F2O/c1-15-10-7-6-9(13)12(14)11(10)8-4-2-3-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyWIXZCCHUJOWWFY-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.41
Rot. Bonds2

About 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene

3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene (PubChem CID 142647860) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene
PubChem CID142647860
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(F)c1C1CC=CC1
InChIInChI=1S/C12H12F2O/c1-15-10-7-6-9(13)12(14)11(10)8-4-2-3-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyWIXZCCHUJOWWFY-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-difluoro-6-methoxyphenyl)cyclopropyl]methanol
CID 162341374
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2-bromo-4-cyclopropyl-1,3-difluoro-5-methoxybenzene
CID 174593869
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
(2-cyclobutyl-3,4-difluorophenyl) formate
CID 177059742
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
(1S,4S,11R,14R,21S,24R)-6,9,16,19,26,29-hexamethoxydecacyclo[22.6.1.14,11.114,21.02,23.03,12.05,10.013,22.015,20.025,30]tritriaconta-2,5,7,9,12,15,17,19,22,25,27,29-dodecaene
CID 10531635
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574

Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene?
The IUPAC name of 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene (CID 142647860) is 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene.
What is the SMILES notation for 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene?
The canonical SMILES for 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene is COc1ccc(F)c(F)c1C1CC=CC1.
What is the InChIKey of 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene?
The InChIKey is WIXZCCHUJOWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c1-15-10-7-6-9(13)12(14)11(10)8-4-2-3-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene?
3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene has a molecular weight of 210.22 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene is sourced from PubChem (CID 142647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).