1,5-difluoro-2-methoxy-3-propylbenzene

C10H12F2O — CID 176962400

IUPAC1,5-difluoro-2-methoxy-3-propylbenzene
SMILESCCCc1cc(F)cc(F)c1OC
InChIInChI=1S/C10H12F2O/c1-3-4-7-5-8(11)6-9(12)10(7)13-2/h5-6H,3-4H2,1-2H3
InChIKeyBQPGHTJFSYYLOA-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.93
Rot. Bonds3

About 1,5-difluoro-2-methoxy-3-propylbenzene

1,5-difluoro-2-methoxy-3-propylbenzene (PubChem CID 176962400) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,5-difluoro-2-methoxy-3-propylbenzene.

Molecular Properties

Compound Name1,5-difluoro-2-methoxy-3-propylbenzene
PubChem CID176962400
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,5-difluoro-2-methoxy-3-propylbenzene
SMILESCCCc1cc(F)cc(F)c1OC
InChIInChI=1S/C10H12F2O/c1-3-4-7-5-8(11)6-9(12)10(7)13-2/h5-6H,3-4H2,1-2H3
InChIKeyBQPGHTJFSYYLOA-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-methoxy-3-propylbenzene?
The IUPAC name of 1,5-difluoro-2-methoxy-3-propylbenzene (CID 176962400) is 1,5-difluoro-2-methoxy-3-propylbenzene.
What is the SMILES notation for 1,5-difluoro-2-methoxy-3-propylbenzene?
The canonical SMILES for 1,5-difluoro-2-methoxy-3-propylbenzene is CCCc1cc(F)cc(F)c1OC.
What is the InChIKey of 1,5-difluoro-2-methoxy-3-propylbenzene?
The InChIKey is BQPGHTJFSYYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-3-4-7-5-8(11)6-9(12)10(7)13-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,5-difluoro-2-methoxy-3-propylbenzene?
1,5-difluoro-2-methoxy-3-propylbenzene has a molecular weight of 186.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methoxy-3-propylbenzene is sourced from PubChem (CID 176962400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).