1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene

C9H7F2I — CID 18993725

IUPAC1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
SMILESC=C(CI)c1cccc(F)c1F
InChIInChI=1S/C9H7F2I/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4H,1,5H2
InChIKeyKNUUEEMOLMMUST-UHFFFAOYSA-N
MW280.06 g/mol
LogP3.41
Rot. Bonds2

About 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene

1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene (PubChem CID 18993725) has the molecular formula C9H7F2I and a molecular weight of 280.06 g/mol. Its IUPAC name is 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
PubChem CID18993725
Molecular FormulaC9H7F2I
Molecular Weight280.06 g/mol
Exact Mass279.96
IUPAC Name1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
SMILESC=C(CI)c1cccc(F)c1F
InChIInChI=1S/C9H7F2I/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4H,1,5H2
InChIKeyKNUUEEMOLMMUST-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 53.41
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

1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene
CID 140862790
2-(2,3-difluorophenyl)prop-2-en-1-ol
CID 118140885
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
2,3-difluorobenzoyl bromide
CID 91168195
1,2,3-trifluorobenzene
CID 15147
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-fluoro-2-(1-iodoethenyl)benzene
CID 134999703
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
(E)-3-chloro-3-(2,3-difluorophenyl)prop-2-en-1-ol
CID 145207122

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene?
The IUPAC name of 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene (CID 18993725) is 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene?
The canonical SMILES for 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene is C=C(CI)c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene?
The InChIKey is KNUUEEMOLMMUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2I/c1-6(5-12)7-3-2-4-8(10)9(7)11/h2-4H,1,5H2.
What are the key properties of 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene?
1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene has a molecular weight of 280.06 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene is sourced from PubChem (CID 18993725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).