1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene

C12H7F10I — CID 175387011

IUPAC1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene
SMILESFc1ccc(C(I)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F)cc1
InChIInChI=1S/C12H7F10I/c13-6-3-1-5(2-4-6)8(23)11(19,20)12(21,22)10(17,18)7(14)9(15)16/h1-4,7-9H
InChIKeyHUYIYIOYLDEZRB-UHFFFAOYSA-N
MW468.07 g/mol
LogP5.81
Rot. Bonds6

About 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene

1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene (PubChem CID 175387011) has the molecular formula C12H7F10I and a molecular weight of 468.07 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene
PubChem CID175387011
Molecular FormulaC12H7F10I
Molecular Weight468.07 g/mol
Exact Mass467.94
IUPAC Name1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene
SMILESFc1ccc(C(I)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F)cc1
InChIInChI=1S/C12H7F10I/c13-6-3-1-5(2-4-6)8(23)11(19,20)12(21,22)10(17,18)7(14)9(15)16/h1-4,7-9H
InChIKeyHUYIYIOYLDEZRB-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.07
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 94794891
bis(4-fluorophenyl)methanamine
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2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene
CID 61083107
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
bis(4-fluorophenyl)methylsilane
CID 71348038
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide
CID 95241231
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
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4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene?
The IUPAC name of 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene (CID 175387011) is 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene?
The canonical SMILES for 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene is Fc1ccc(C(I)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F)cc1.
What is the InChIKey of 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene?
The InChIKey is HUYIYIOYLDEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F10I/c13-6-3-1-5(2-4-6)8(23)11(19,20)12(21,22)10(17,18)7(14)9(15)16/h1-4,7-9H.
What are the key properties of 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene?
1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene has a molecular weight of 468.07 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,3,3,4,4,5,6,6-nonafluoro-1-iodohexyl)benzene is sourced from PubChem (CID 175387011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).