2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene

C11H12F4O — CID 20705700

IUPAC2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(C(F)(F)OC)c(F)c1
InChIInChI=1S/C11H12F4O/c1-3-4-7-5-8(12)10(9(13)6-7)11(14,15)16-2/h5-6H,3-4H2,1-2H3
InChIKeyUIDKIUQNGXDVPC-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.61
Rot. Bonds4

About 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene

2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene (PubChem CID 20705700) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
PubChem CID20705700
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(C(F)(F)OC)c(F)c1
InChIInChI=1S/C11H12F4O/c1-3-4-7-5-8(12)10(9(13)6-7)11(14,15)16-2/h5-6H,3-4H2,1-2H3
InChIKeyUIDKIUQNGXDVPC-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene (CID 20705700) is 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(C(F)(F)OC)c(F)c1.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene?
The InChIKey is UIDKIUQNGXDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-3-4-7-5-8(12)10(9(13)6-7)11(14,15)16-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene?
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene has a molecular weight of 236.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 20705700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).