1,1-difluoropropylbenzene

C9H10F2 — CID 15076545

IUPAC1,1-difluoropropylbenzene
SMILESCCC(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMLVUDABJOWVGGC-UHFFFAOYSA-N
MW156.18 g/mol
LogP3.19
Rot. Bonds2

About 1,1-difluoropropylbenzene

1,1-difluoropropylbenzene (PubChem CID 15076545) has the molecular formula C9H10F2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,1-difluoropropylbenzene.

Molecular Properties

Compound Name1,1-difluoropropylbenzene
PubChem CID15076545
Molecular FormulaC9H10F2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,1-difluoropropylbenzene
SMILESCCC(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMLVUDABJOWVGGC-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropylbenzene?
The IUPAC name of 1,1-difluoropropylbenzene (CID 15076545) is 1,1-difluoropropylbenzene.
What is the SMILES notation for 1,1-difluoropropylbenzene?
The canonical SMILES for 1,1-difluoropropylbenzene is CCC(F)(F)c1ccccc1.
What is the InChIKey of 1,1-difluoropropylbenzene?
The InChIKey is MLVUDABJOWVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c1-2-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 1,1-difluoropropylbenzene?
1,1-difluoropropylbenzene has a molecular weight of 156.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropylbenzene is sourced from PubChem (CID 15076545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).