1-(ethenoxymethyl)-3,5-difluorobenzene

C9H8F2O — CID 176708559

IUPAC1-(ethenoxymethyl)-3,5-difluorobenzene
SMILESC=COCc1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O/c1-2-12-6-7-3-8(10)5-9(11)4-7/h2-5H,1,6H2
InChIKeyWTDBZLOOMAFPAA-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.62
Rot. Bonds3

About 1-(ethenoxymethyl)-3,5-difluorobenzene

1-(ethenoxymethyl)-3,5-difluorobenzene (PubChem CID 176708559) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(ethenoxymethyl)-3,5-difluorobenzene
PubChem CID176708559
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name1-(ethenoxymethyl)-3,5-difluorobenzene
SMILESC=COCc1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O/c1-2-12-6-7-3-8(10)5-9(11)4-7/h2-5H,1,6H2
InChIKeyWTDBZLOOMAFPAA-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
(3,5-difluorophenyl)methyl hydrogen sulfite
CID 174745907
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
3,5-difluoro-N-prop-2-enylaniline
CID 62141812
5-[(3,5-difluorophenyl)methoxy]pyrimidine
CID 175928368
3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
CID 105404486
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
CID 105404471
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-3,5-difluorobenzene?
The IUPAC name of 1-(ethenoxymethyl)-3,5-difluorobenzene (CID 176708559) is 1-(ethenoxymethyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(ethenoxymethyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(ethenoxymethyl)-3,5-difluorobenzene is C=COCc1cc(F)cc(F)c1.
What is the InChIKey of 1-(ethenoxymethyl)-3,5-difluorobenzene?
The InChIKey is WTDBZLOOMAFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-2-12-6-7-3-8(10)5-9(11)4-7/h2-5H,1,6H2.
What are the key properties of 1-(ethenoxymethyl)-3,5-difluorobenzene?
1-(ethenoxymethyl)-3,5-difluorobenzene has a molecular weight of 170.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-3,5-difluorobenzene is sourced from PubChem (CID 176708559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).