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

C15H14FI — CID 150911795

IUPAC2-fluoro-4-iodo-1-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(I)cc2F)cc1
InChIInChI=1S/C15H14FI/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)10-15(14)16/h4-10H,2-3H2,1H3
InChIKeyLCDKVJONTFINJN-UHFFFAOYSA-N
MW340.18 g/mol
LogP5.05
Rot. Bonds3

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

2-fluoro-4-iodo-1-(4-propylphenyl)benzene (PubChem CID 150911795) has the molecular formula C15H14FI and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-fluoro-4-iodo-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-iodo-1-(4-propylphenyl)benzene
PubChem CID150911795
Molecular FormulaC15H14FI
Molecular Weight340.18 g/mol
Exact Mass340.01
IUPAC Name2-fluoro-4-iodo-1-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(I)cc2F)cc1
InChIInChI=1S/C15H14FI/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)10-15(14)16/h4-10H,2-3H2,1H3
InChIKeyLCDKVJONTFINJN-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.18
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1,3-difluoro-5-[3-fluoro-4-(4-iodophenyl)phenyl]-2-propylbenzene
CID 10994061
1,2-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-3-iodobenzene
CID 122546409
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-1-(4-propylphenyl)benzene?
The IUPAC name of 2-fluoro-4-iodo-1-(4-propylphenyl)benzene (CID 150911795) is 2-fluoro-4-iodo-1-(4-propylphenyl)benzene.
What is the SMILES notation for 2-fluoro-4-iodo-1-(4-propylphenyl)benzene?
The canonical SMILES for 2-fluoro-4-iodo-1-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(I)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-iodo-1-(4-propylphenyl)benzene?
The InChIKey is LCDKVJONTFINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FI/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)10-15(14)16/h4-10H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-iodo-1-(4-propylphenyl)benzene?
2-fluoro-4-iodo-1-(4-propylphenyl)benzene has a molecular weight of 340.18 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-1-(4-propylphenyl)benzene is sourced from PubChem (CID 150911795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).