3,3-difluoroprop-2-enylbenzene

C9H8F2 — CID 11355602

IUPAC3,3-difluoroprop-2-enylbenzene
SMILESFC(F)=CCc1ccccc1
InChIInChI=1S/C9H8F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyTXCDHAJAFFONBZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP3.01
Rot. Bonds2

About 3,3-difluoroprop-2-enylbenzene

3,3-difluoroprop-2-enylbenzene (PubChem CID 11355602) has the molecular formula C9H8F2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enylbenzene.

Molecular Properties

Compound Name3,3-difluoroprop-2-enylbenzene
PubChem CID11355602
Molecular FormulaC9H8F2
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,3-difluoroprop-2-enylbenzene
SMILESFC(F)=CCc1ccccc1
InChIInChI=1S/C9H8F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyTXCDHAJAFFONBZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-enylbenzene?
The IUPAC name of 3,3-difluoroprop-2-enylbenzene (CID 11355602) is 3,3-difluoroprop-2-enylbenzene.
What is the SMILES notation for 3,3-difluoroprop-2-enylbenzene?
The canonical SMILES for 3,3-difluoroprop-2-enylbenzene is FC(F)=CCc1ccccc1.
What is the InChIKey of 3,3-difluoroprop-2-enylbenzene?
The InChIKey is TXCDHAJAFFONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 3,3-difluoroprop-2-enylbenzene?
3,3-difluoroprop-2-enylbenzene has a molecular weight of 154.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enylbenzene is sourced from PubChem (CID 11355602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).