1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene

C17H15F4I — CID 139623961

IUPAC1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(C(F)(F)C(F)(F)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H15F4I/c1-2-3-12-4-6-13(7-5-12)16(18,19)17(20,21)14-8-10-15(22)11-9-14/h4-11H,2-3H2,1H3
InChIKeyUEUJZSRTGGIHHZ-UHFFFAOYSA-N
MW422.20 g/mol
LogP6.13
Rot. Bonds5

About 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene

1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene (PubChem CID 139623961) has the molecular formula C17H15F4I and a molecular weight of 422.20 g/mol. Its IUPAC name is 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
PubChem CID139623961
Molecular FormulaC17H15F4I
Molecular Weight422.20 g/mol
Exact Mass422.02
IUPAC Name1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(C(F)(F)C(F)(F)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H15F4I/c1-2-3-12-4-6-13(7-5-12)16(18,19)17(20,21)14-8-10-15(22)11-9-14/h4-11H,2-3H2,1H3
InChIKeyUEUJZSRTGGIHHZ-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.20
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
1-iodo-4-octadecylbenzene
CID 141122271
[4-[1,1,2,2-tetrafluoro-2-(4-hexylphenyl)ethyl]phenyl] thiohypofluorite
CID 54525557
bis(1-dodecyl-4-iodobenzene);bis(trifluoromethanesulfonic acid)
CID 171930326
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
1-decyl-4-iodobenzene tetrafluoroborate
CID 174595981
1-(3-chlorohexyl)-4-iodobenzene
CID 65477934

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene (CID 139623961) is 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(C(F)(F)C(F)(F)c2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene?
The InChIKey is UEUJZSRTGGIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4I/c1-2-3-12-4-6-13(7-5-12)16(18,19)17(20,21)14-8-10-15(22)11-9-14/h4-11H,2-3H2,1H3.
What are the key properties of 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene?
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene has a molecular weight of 422.20 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 139623961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).