3,3-difluoroprop-1-en-2-ylbenzene

C9H8F2 — CID 12705318

IUPAC3,3-difluoroprop-1-en-2-ylbenzene
SMILESC=C(c1ccccc1)C(F)F
InChIInChI=1S/C9H8F2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,9H,1H2
InChIKeyRFVHKBGPIPZPOW-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.96
Rot. Bonds2

About 3,3-difluoroprop-1-en-2-ylbenzene

3,3-difluoroprop-1-en-2-ylbenzene (PubChem CID 12705318) has the molecular formula C9H8F2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,3-difluoroprop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3,3-difluoroprop-1-en-2-ylbenzene
PubChem CID12705318
Molecular FormulaC9H8F2
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,3-difluoroprop-1-en-2-ylbenzene
SMILESC=C(c1ccccc1)C(F)F
InChIInChI=1S/C9H8F2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,9H,1H2
InChIKeyRFVHKBGPIPZPOW-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-1-en-2-ylbenzene?
The IUPAC name of 3,3-difluoroprop-1-en-2-ylbenzene (CID 12705318) is 3,3-difluoroprop-1-en-2-ylbenzene.
What is the SMILES notation for 3,3-difluoroprop-1-en-2-ylbenzene?
The canonical SMILES for 3,3-difluoroprop-1-en-2-ylbenzene is C=C(c1ccccc1)C(F)F.
What is the InChIKey of 3,3-difluoroprop-1-en-2-ylbenzene?
The InChIKey is RFVHKBGPIPZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,9H,1H2.
What are the key properties of 3,3-difluoroprop-1-en-2-ylbenzene?
3,3-difluoroprop-1-en-2-ylbenzene has a molecular weight of 154.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-1-en-2-ylbenzene is sourced from PubChem (CID 12705318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).