2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene

C15H14F2O — CID 174492898

IUPAC2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C15H14F2O/c1-2-9-18-15-8-7-11(10-14(15)17)12-5-3-4-6-13(12)16/h3-8,10H,2,9H2,1H3
InChIKeyCMETXYOGAZQSCP-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.42
Rot. Bonds4

About 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene

2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene (PubChem CID 174492898) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
PubChem CID174492898
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C15H14F2O/c1-2-9-18-15-8-7-11(10-14(15)17)12-5-3-4-6-13(12)16/h3-8,10H,2,9H2,1H3
InChIKeyCMETXYOGAZQSCP-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene?
The IUPAC name of 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene (CID 174492898) is 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene.
What is the SMILES notation for 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene?
The canonical SMILES for 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene is CCCOc1ccc(-c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene?
The InChIKey is CMETXYOGAZQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-2-9-18-15-8-7-11(10-14(15)17)12-5-3-4-6-13(12)16/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene?
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene has a molecular weight of 248.27 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene is sourced from PubChem (CID 174492898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).