1-iodo-4-(5,5,5-trifluoropentoxy)benzene

C11H12F3IO — CID 102202371

IUPAC1-iodo-4-(5,5,5-trifluoropentoxy)benzene
SMILESFC(F)(F)CCCCOc1ccc(I)cc1
InChIInChI=1S/C11H12F3IO/c12-11(13,14)7-1-2-8-16-10-5-3-9(15)4-6-10/h3-6H,1-2,7-8H2
InChIKeySKHCQVBQEOYWJN-UHFFFAOYSA-N
MW344.11 g/mol
LogP4.40
Rot. Bonds5

About 1-iodo-4-(5,5,5-trifluoropentoxy)benzene

1-iodo-4-(5,5,5-trifluoropentoxy)benzene (PubChem CID 102202371) has the molecular formula C11H12F3IO and a molecular weight of 344.11 g/mol. Its IUPAC name is 1-iodo-4-(5,5,5-trifluoropentoxy)benzene.

Molecular Properties

Compound Name1-iodo-4-(5,5,5-trifluoropentoxy)benzene
PubChem CID102202371
Molecular FormulaC11H12F3IO
Molecular Weight344.11 g/mol
Exact Mass343.99
IUPAC Name1-iodo-4-(5,5,5-trifluoropentoxy)benzene
SMILESFC(F)(F)CCCCOc1ccc(I)cc1
InChIInChI=1S/C11H12F3IO/c12-11(13,14)7-1-2-8-16-10-5-3-9(15)4-6-10/h3-6H,1-2,7-8H2
InChIKeySKHCQVBQEOYWJN-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-iodo-4-(8,8,8-trifluorooctoxymethyl)benzene
CID 54310842
6-(4-iodophenoxy)-2,2-dimethylhexanoic acid
CID 106714309
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
CID 162621629
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
5-(4-iodophenoxy)pentanoic acid
CID 22915460

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(5,5,5-trifluoropentoxy)benzene?
The IUPAC name of 1-iodo-4-(5,5,5-trifluoropentoxy)benzene (CID 102202371) is 1-iodo-4-(5,5,5-trifluoropentoxy)benzene.
What is the SMILES notation for 1-iodo-4-(5,5,5-trifluoropentoxy)benzene?
The canonical SMILES for 1-iodo-4-(5,5,5-trifluoropentoxy)benzene is FC(F)(F)CCCCOc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-(5,5,5-trifluoropentoxy)benzene?
The InChIKey is SKHCQVBQEOYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3IO/c12-11(13,14)7-1-2-8-16-10-5-3-9(15)4-6-10/h3-6H,1-2,7-8H2.
What are the key properties of 1-iodo-4-(5,5,5-trifluoropentoxy)benzene?
1-iodo-4-(5,5,5-trifluoropentoxy)benzene has a molecular weight of 344.11 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(5,5,5-trifluoropentoxy)benzene is sourced from PubChem (CID 102202371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).