2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene

C10H9F3 — CID 142140621

IUPAC2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene
SMILESC=CC(F)(F)c1cc(C)ccc1F
InChIInChI=1S/C10H9F3/c1-3-10(12,13)8-6-7(2)4-5-9(8)11/h3-6H,1H2,2H3
InChIKeyYIPCLADASQALHI-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.41
Rot. Bonds2

About 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene

2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene (PubChem CID 142140621) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene
PubChem CID142140621
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene
SMILESC=CC(F)(F)c1cc(C)ccc1F
InChIInChI=1S/C10H9F3/c1-3-10(12,13)8-6-7(2)4-5-9(8)11/h3-6H,1H2,2H3
InChIKeyYIPCLADASQALHI-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene (CID 142140621) is 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene is C=CC(F)(F)c1cc(C)ccc1F.
What is the InChIKey of 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene?
The InChIKey is YIPCLADASQALHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c1-3-10(12,13)8-6-7(2)4-5-9(8)11/h3-6H,1H2,2H3.
What are the key properties of 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene?
2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene has a molecular weight of 186.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-2-enyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 142140621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).