(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one

C10H10FIO — CID 143250883

IUPAC(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
SMILESC[C@@H](I)CC(=O)c1cccc(F)c1
InChIInChI=1S/C10H10FIO/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3/t7-/m1/s1
InChIKeyDLGOBBSYJDXMQH-SSDOTTSWSA-N
MW292.09 g/mol
LogP3.22
Rot. Bonds3

About (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one

(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one (PubChem CID 143250883) has the molecular formula C10H10FIO and a molecular weight of 292.09 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
PubChem CID143250883
Molecular FormulaC10H10FIO
Molecular Weight292.09 g/mol
Exact Mass291.98
IUPAC Name(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
SMILESC[C@@H](I)CC(=O)c1cccc(F)c1
InChIInChI=1S/C10H10FIO/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3/t7-/m1/s1
InChIKeyDLGOBBSYJDXMQH-SSDOTTSWSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-fluorophenyl)-3,5,5-trimethylhexan-1-one
CID 114962701
3-amino-1-(3-fluorophenyl)hexan-1-one
CID 116607934
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
CID 67351553
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
1-(3-fluorophenyl)-2-isocyanoethanone
CID 58318646
1-(3-iodophenyl)-3-methylbutan-1-one
CID 114962386
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
bismuth tris(3-fluorobenzoate)
CID 132504465

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one?
The IUPAC name of (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one (CID 143250883) is (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one?
The canonical SMILES for (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one is C[C@@H](I)CC(=O)c1cccc(F)c1.
What is the InChIKey of (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one?
The InChIKey is DLGOBBSYJDXMQH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10FIO/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one?
(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one has a molecular weight of 292.09 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)-3-iodobutan-1-one is sourced from PubChem (CID 143250883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).