6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene

C18H14FI — CID 135034814

IUPAC6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(I)c2ccc(F)cc21
InChIInChI=1S/C18H14FI/c1-11(2)16-15-10-13(19)8-9-14(15)18(20)17(16)12-6-4-3-5-7-12/h3-10,16H,1H2,2H3
InChIKeyQGDMXAIJLQOMID-UHFFFAOYSA-N
MW376.21 g/mol
LogP5.80
Rot. Bonds2

About 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene

6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene (PubChem CID 135034814) has the molecular formula C18H14FI and a molecular weight of 376.21 g/mol. Its IUPAC name is 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene.

Molecular Properties

Compound Name6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
PubChem CID135034814
Molecular FormulaC18H14FI
Molecular Weight376.21 g/mol
Exact Mass376.01
IUPAC Name6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(I)c2ccc(F)cc21
InChIInChI=1S/C18H14FI/c1-11(2)16-15-10-13(19)8-9-14(15)18(20)17(16)12-6-4-3-5-7-12/h3-10,16H,1H2,2H3
InChIKeyQGDMXAIJLQOMID-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.21
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 102054669
3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 102054673
2-fluoro-9H-fluorene-9-carboxylic acid
CID 14579584
1-ethyl-3-iodo-2-phenyl-1H-indene
CID 134982592
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
1-ethyl-4-(5-fluoro-2-phenylphenyl)silinane
CID 54737361
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
CID 163547179
7-fluoro-4-hydroxy-3-phenyl-1,2-dihydroisoquinoline-1-carbaldehyde
CID 174762931
9-benzyl-2-fluoro-9H-fluorene
CID 178120274
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
4-fluoro-1-iodo-2-prop-1-en-2-ylbenzene
CID 164896501

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The IUPAC name of 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene (CID 135034814) is 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene.
What is the SMILES notation for 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The canonical SMILES for 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene is C=C(C)C1C(c2ccccc2)=C(I)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The InChIKey is QGDMXAIJLQOMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FI/c1-11(2)16-15-10-13(19)8-9-14(15)18(20)17(16)12-6-4-3-5-7-12/h3-10,16H,1H2,2H3.
What are the key properties of 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene has a molecular weight of 376.21 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene is sourced from PubChem (CID 135034814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).