1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene

C17H17F2I — CID 86196403

IUPAC1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene
SMILESCCCc1ccc(CCc2c(F)cccc2I)c(F)c1
InChIInChI=1S/C17H17F2I/c1-2-4-12-7-8-13(16(19)11-12)9-10-14-15(18)5-3-6-17(14)20/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyMZUOXLCOZUSMRX-UHFFFAOYSA-N
MW386.22 g/mol
LogP5.31
Rot. Bonds5

About 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene

1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene (PubChem CID 86196403) has the molecular formula C17H17F2I and a molecular weight of 386.22 g/mol. Its IUPAC name is 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene
PubChem CID86196403
Molecular FormulaC17H17F2I
Molecular Weight386.22 g/mol
Exact Mass386.03
IUPAC Name1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene
SMILESCCCc1ccc(CCc2c(F)cccc2I)c(F)c1
InChIInChI=1S/C17H17F2I/c1-2-4-12-7-8-13(16(19)11-12)9-10-14-15(18)5-3-6-17(14)20/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyMZUOXLCOZUSMRX-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.22
LogP ≤ 55.31
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

2-[2-[4-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-3-fluorophenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758572
4-(2-bromoethyl)-2-fluoro-1-propylbenzene
CID 19988249
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
1,8,9,9,10,10-hexafluoro-2-[2-(2-fluoro-4-pentylphenyl)ethyl]-7-propylphenanthrene
CID 88552688
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
CID 160803924
CID 160803924
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
4-butyl-1-(2,2-difluoroethyl)-2-fluorobenzene
CID 166857103
1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
CID 139856544
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
CID 123803094

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene?
The IUPAC name of 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene (CID 86196403) is 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene.
What is the SMILES notation for 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene?
The canonical SMILES for 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene is CCCc1ccc(CCc2c(F)cccc2I)c(F)c1.
What is the InChIKey of 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene?
The InChIKey is MZUOXLCOZUSMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2I/c1-2-4-12-7-8-13(16(19)11-12)9-10-14-15(18)5-3-6-17(14)20/h3,5-8,11H,2,4,9-10H2,1H3.
What are the key properties of 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene?
1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene has a molecular weight of 386.22 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene is sourced from PubChem (CID 86196403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).