1,4-difluoro-2-prop-1-en-2-yloxybenzene

C9H8F2O — CID 90191297

IUPAC1,4-difluoro-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1cc(F)ccc1F
InChIInChI=1S/C9H8F2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-5H,1H2,2H3
InChIKeyYAXRENUMTROASU-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.88
Rot. Bonds2

About 1,4-difluoro-2-prop-1-en-2-yloxybenzene

1,4-difluoro-2-prop-1-en-2-yloxybenzene (PubChem CID 90191297) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 1,4-difluoro-2-prop-1-en-2-yloxybenzene.

Molecular Properties

Compound Name1,4-difluoro-2-prop-1-en-2-yloxybenzene
PubChem CID90191297
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name1,4-difluoro-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1cc(F)ccc1F
InChIInChI=1S/C9H8F2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-5H,1H2,2H3
InChIKeyYAXRENUMTROASU-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4-difluoro-2-prop-1-en-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-difluorophenyl) N-ethylcarbamate
CID 127549988
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
1-bromo-2-prop-1-en-2-yloxybenzene
CID 156775393
2-(2,5-difluorophenoxy)propanamide
CID 63269491
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
3-(2,5-difluorophenoxy)cyclobutan-1-ol
CID 66346063
2-acetyloxy-4-fluorobenzoic acid
CID 15902067
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
1,4-difluoro-2-hexoxybenzene
CID 23437312
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-prop-1-en-2-yloxybenzene?
The IUPAC name of 1,4-difluoro-2-prop-1-en-2-yloxybenzene (CID 90191297) is 1,4-difluoro-2-prop-1-en-2-yloxybenzene.
What is the SMILES notation for 1,4-difluoro-2-prop-1-en-2-yloxybenzene?
The canonical SMILES for 1,4-difluoro-2-prop-1-en-2-yloxybenzene is C=C(C)Oc1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-prop-1-en-2-yloxybenzene?
The InChIKey is YAXRENUMTROASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-5H,1H2,2H3.
What are the key properties of 1,4-difluoro-2-prop-1-en-2-yloxybenzene?
1,4-difluoro-2-prop-1-en-2-yloxybenzene has a molecular weight of 170.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-prop-1-en-2-yloxybenzene is sourced from PubChem (CID 90191297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).