2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene

C16H16F2 — CID 20663568

IUPAC2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
SMILESFCCCCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H16F2/c17-11-5-4-6-13-9-10-15(16(18)12-13)14-7-2-1-3-8-14/h1-3,7-10,12H,4-6,11H2
InChIKeySQPDKBRMWNURLF-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.78
Rot. Bonds5

About 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene

2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene (PubChem CID 20663568) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
PubChem CID20663568
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
SMILESFCCCCc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H16F2/c17-11-5-4-6-13-9-10-15(16(18)12-13)14-7-2-1-3-8-14/h1-3,7-10,12H,4-6,11H2
InChIKeySQPDKBRMWNURLF-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1,3-difluoro-2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-(6-fluorohexyl)benzene
CID 20663419
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167608269
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene?
The IUPAC name of 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene (CID 20663568) is 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene.
What is the SMILES notation for 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene?
The canonical SMILES for 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene is FCCCCc1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene?
The InChIKey is SQPDKBRMWNURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c17-11-5-4-6-13-9-10-15(16(18)12-13)14-7-2-1-3-8-14/h1-3,7-10,12H,4-6,11H2.
What are the key properties of 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene?
2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene has a molecular weight of 246.30 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene is sourced from PubChem (CID 20663568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).