2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene

C16H16F2O — CID 59931454

IUPAC2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
SMILESCOCCCc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C16H16F2O/c1-19-10-4-5-12-8-9-13(11-16(12)18)14-6-2-3-7-15(14)17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyLQMZRCSCFSMQDU-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.21
Rot. Bonds5

About 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene

2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene (PubChem CID 59931454) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
PubChem CID59931454
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene
SMILESCOCCCc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C16H16F2O/c1-19-10-4-5-12-8-9-13(11-16(12)18)14-6-2-3-7-15(14)17/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyLQMZRCSCFSMQDU-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.21
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 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene?
The IUPAC name of 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene (CID 59931454) is 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene.
What is the SMILES notation for 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene?
The canonical SMILES for 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene is COCCCc1ccc(-c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene?
The InChIKey is LQMZRCSCFSMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-19-10-4-5-12-8-9-13(11-16(12)18)14-6-2-3-7-15(14)17/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene?
2-fluoro-4-(2-fluorophenyl)-1-(3-methoxypropyl)benzene has a molecular weight of 262.30 g/mol, XLogP of 4.21, 5 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-(3-methoxypropyl)benzene is sourced from PubChem (CID 59931454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).