1,2-difluoro-4-(1-iodopropyl)benzene

C9H9F2I — CID 70110065

IUPAC1,2-difluoro-4-(1-iodopropyl)benzene
SMILESCCC(I)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2I/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3
InChIKeyRWJMJTSJABEUNT-UHFFFAOYSA-N
MW282.07 g/mol
LogP3.85
Rot. Bonds2

About 1,2-difluoro-4-(1-iodopropyl)benzene

1,2-difluoro-4-(1-iodopropyl)benzene (PubChem CID 70110065) has the molecular formula C9H9F2I and a molecular weight of 282.07 g/mol. Its IUPAC name is 1,2-difluoro-4-(1-iodopropyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(1-iodopropyl)benzene
PubChem CID70110065
Molecular FormulaC9H9F2I
Molecular Weight282.07 g/mol
Exact Mass281.97
IUPAC Name1,2-difluoro-4-(1-iodopropyl)benzene
SMILESCCC(I)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2I/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3
InChIKeyRWJMJTSJABEUNT-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 53.85
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'}

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Related Compounds

(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
6-(3,4-difluorophenyl)heptan-3-amine
CID 83936159
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
[1-(3,4-difluorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225349

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(1-iodopropyl)benzene?
The IUPAC name of 1,2-difluoro-4-(1-iodopropyl)benzene (CID 70110065) is 1,2-difluoro-4-(1-iodopropyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(1-iodopropyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(1-iodopropyl)benzene is CCC(I)c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(1-iodopropyl)benzene?
The InChIKey is RWJMJTSJABEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2I/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3.
What are the key properties of 1,2-difluoro-4-(1-iodopropyl)benzene?
1,2-difluoro-4-(1-iodopropyl)benzene has a molecular weight of 282.07 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(1-iodopropyl)benzene is sourced from PubChem (CID 70110065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).