3,3-difluoropropylbenzene

C9H10F2 — CID 11829680

IUPAC3,3-difluoropropylbenzene
SMILESFC(F)CCc1ccccc1
InChIInChI=1S/C9H10F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySBJSSUDWLOQFRO-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.88
Rot. Bonds3

About 3,3-difluoropropylbenzene

3,3-difluoropropylbenzene (PubChem CID 11829680) has the molecular formula C9H10F2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,3-difluoropropylbenzene.

Molecular Properties

Compound Name3,3-difluoropropylbenzene
PubChem CID11829680
Molecular FormulaC9H10F2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3,3-difluoropropylbenzene
SMILESFC(F)CCc1ccccc1
InChIInChI=1S/C9H10F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeySBJSSUDWLOQFRO-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropylbenzene?
The IUPAC name of 3,3-difluoropropylbenzene (CID 11829680) is 3,3-difluoropropylbenzene.
What is the SMILES notation for 3,3-difluoropropylbenzene?
The canonical SMILES for 3,3-difluoropropylbenzene is FC(F)CCc1ccccc1.
What is the InChIKey of 3,3-difluoropropylbenzene?
The InChIKey is SBJSSUDWLOQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3,3-difluoropropylbenzene?
3,3-difluoropropylbenzene has a molecular weight of 156.18 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropylbenzene is sourced from PubChem (CID 11829680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).