1,3-difluoropropan-2-yloxymethylbenzene

C10H12F2O — CID 13168526

IUPAC1,3-difluoropropan-2-yloxymethylbenzene
SMILESFCC(CF)OCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeySVCIAVIRZKPMBQ-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.51
Rot. Bonds5

About 1,3-difluoropropan-2-yloxymethylbenzene

1,3-difluoropropan-2-yloxymethylbenzene (PubChem CID 13168526) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,3-difluoropropan-2-yloxymethylbenzene.

Molecular Properties

Compound Name1,3-difluoropropan-2-yloxymethylbenzene
PubChem CID13168526
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,3-difluoropropan-2-yloxymethylbenzene
SMILESFCC(CF)OCc1ccccc1
InChIInChI=1S/C10H12F2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeySVCIAVIRZKPMBQ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropan-2-yloxymethylbenzene?
The IUPAC name of 1,3-difluoropropan-2-yloxymethylbenzene (CID 13168526) is 1,3-difluoropropan-2-yloxymethylbenzene.
What is the SMILES notation for 1,3-difluoropropan-2-yloxymethylbenzene?
The canonical SMILES for 1,3-difluoropropan-2-yloxymethylbenzene is FCC(CF)OCc1ccccc1.
What is the InChIKey of 1,3-difluoropropan-2-yloxymethylbenzene?
The InChIKey is SVCIAVIRZKPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 1,3-difluoropropan-2-yloxymethylbenzene?
1,3-difluoropropan-2-yloxymethylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropan-2-yloxymethylbenzene is sourced from PubChem (CID 13168526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).