3-(difluoromethoxy)propylbenzene

C10H12F2O — CID 102340465

IUPAC3-(difluoromethoxy)propylbenzene
SMILESFC(F)OCCCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyBFTKTOATPHCDHO-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.86
Rot. Bonds5

About 3-(difluoromethoxy)propylbenzene

3-(difluoromethoxy)propylbenzene (PubChem CID 102340465) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)propylbenzene.

Molecular Properties

Compound Name3-(difluoromethoxy)propylbenzene
PubChem CID102340465
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name3-(difluoromethoxy)propylbenzene
SMILESFC(F)OCCCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyBFTKTOATPHCDHO-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)propylbenzene?
The IUPAC name of 3-(difluoromethoxy)propylbenzene (CID 102340465) is 3-(difluoromethoxy)propylbenzene.
What is the SMILES notation for 3-(difluoromethoxy)propylbenzene?
The canonical SMILES for 3-(difluoromethoxy)propylbenzene is FC(F)OCCCc1ccccc1.
What is the InChIKey of 3-(difluoromethoxy)propylbenzene?
The InChIKey is BFTKTOATPHCDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 3-(difluoromethoxy)propylbenzene?
3-(difluoromethoxy)propylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)propylbenzene is sourced from PubChem (CID 102340465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).