(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone

C14H9ClFIO — CID 103214281

IUPAC(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C14H9ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7H,1H3
InChIKeyYXCSGHLLZVWHAA-UHFFFAOYSA-N
MW374.58 g/mol
LogP4.62
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone

(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 103214281) has the molecular formula C14H9ClFIO and a molecular weight of 374.58 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID103214281
Molecular FormulaC14H9ClFIO
Molecular Weight374.58 g/mol
Exact Mass373.94
IUPAC Name(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C14H9ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7H,1H3
InChIKeyYXCSGHLLZVWHAA-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.62
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

(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
3-chloro-4-iodobenzoic acid
CID 18953341
3-chloro-4-iodobenzamide
CID 94675118

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone (CID 103214281) is (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is YXCSGHLLZVWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7H,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone?
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 374.58 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 103214281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).