4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene

C9H8FI — CID 164896501

IUPAC4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(F)ccc1I
InChIInChI=1S/C9H8FI/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3
InChIKeyMDPJJZXABFQBBL-UHFFFAOYSA-N
MW262.06 g/mol
LogP3.46
Rot. Bonds1

About 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene

4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene (PubChem CID 164896501) has the molecular formula C9H8FI and a molecular weight of 262.06 g/mol. Its IUPAC name is 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
PubChem CID164896501
Molecular FormulaC9H8FI
Molecular Weight262.06 g/mol
Exact Mass261.97
IUPAC Name4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(F)ccc1I
InChIInChI=1S/C9H8FI/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3
InChIKeyMDPJJZXABFQBBL-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 153370465
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
ethane;5-fluoro-2-prop-1-en-2-ylphenol
CID 142945481
ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
CID 157040724
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
3-methylbut-2-enyl 5-fluoro-2-iodobenzoate
CID 163211172
1-(5-fluoro-2-iodophenyl)propan-2-one
CID 118852730
7-fluoro-4-prop-1-en-2-ylisoquinoline
CID 175783594
1-fluoro-4-[1-(2-iodophenyl)ethenyl]benzene
CID 175448497
1-(2,5-difluorophenyl)ethanethione
CID 143795171

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene?
The IUPAC name of 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene (CID 164896501) is 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(F)ccc1I.
What is the InChIKey of 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene?
The InChIKey is MDPJJZXABFQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FI/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3.
What are the key properties of 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene?
4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene has a molecular weight of 262.06 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 164896501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).