2-fluoro-1-pentyl-4-(4-propylphenyl)benzene

C20H25F — CID 67842368

IUPAC2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CCC)cc2)cc1F
InChIInChI=1S/C20H25F/c1-3-5-6-8-18-13-14-19(15-20(18)21)17-11-9-16(7-4-2)10-12-17/h9-15H,3-8H2,1-2H3
InChIKeyZPEGDPOGSJGCDI-UHFFFAOYSA-N
MW284.42 g/mol
LogP6.18
Rot. Bonds7

About 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene

2-fluoro-1-pentyl-4-(4-propylphenyl)benzene (PubChem CID 67842368) has the molecular formula C20H25F and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
PubChem CID67842368
Molecular FormulaC20H25F
Molecular Weight284.42 g/mol
Exact Mass284.19
IUPAC Name2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CCC)cc2)cc1F
InChIInChI=1S/C20H25F/c1-3-5-6-8-18-13-14-19(15-20(18)21)17-11-9-16(7-4-2)10-12-17/h9-15H,3-8H2,1-2H3
InChIKeyZPEGDPOGSJGCDI-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 56.18
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

2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene?
The IUPAC name of 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene (CID 67842368) is 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene is CCCCCc1ccc(-c2ccc(CCC)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene?
The InChIKey is ZPEGDPOGSJGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F/c1-3-5-6-8-18-13-14-19(15-20(18)21)17-11-9-16(7-4-2)10-12-17/h9-15H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene?
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene has a molecular weight of 284.42 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pentyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 67842368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).