1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one

C15H11ClFIO — CID 65478707

IUPAC1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(I)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFIO/c16-14-2-1-3-15(17)13(14)9-12(19)8-10-4-6-11(18)7-5-10/h1-7H,8-9H2
InChIKeySWJFUOPKCRPJHG-UHFFFAOYSA-N
MW388.61 g/mol
LogP4.44
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one

1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one (PubChem CID 65478707) has the molecular formula C15H11ClFIO and a molecular weight of 388.61 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
PubChem CID65478707
Molecular FormulaC15H11ClFIO
Molecular Weight388.61 g/mol
Exact Mass387.95
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(I)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFIO/c16-14-2-1-3-15(17)13(14)9-12(19)8-10-4-6-11(18)7-5-10/h1-7H,8-9H2
InChIKeySWJFUOPKCRPJHG-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
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1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
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1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
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5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473539
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CID 115345698

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one (CID 65478707) is 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one is O=C(Cc1ccc(I)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one?
The InChIKey is SWJFUOPKCRPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFIO/c16-14-2-1-3-15(17)13(14)9-12(19)8-10-4-6-11(18)7-5-10/h1-7H,8-9H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one?
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one has a molecular weight of 388.61 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one is sourced from PubChem (CID 65478707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).