(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone

C14H8F3IO — CID 114970696

IUPAC(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C14H8F3IO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H
InChIKeyPKOMXFNKXRIZGY-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.54
Rot. Bonds2

About (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone

(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 114970696) has the molecular formula C14H8F3IO and a molecular weight of 376.12 g/mol. Its IUPAC name is (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID114970696
Molecular FormulaC14H8F3IO
Molecular Weight376.12 g/mol
Exact Mass375.96
IUPAC Name(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccccc1I
InChIInChI=1S/C14H8F3IO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H
InChIKeyPKOMXFNKXRIZGY-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.54
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

(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(2-iodophenyl)-(4-phenylphenyl)methanone
CID 43337741
CID 161391832
CID 161391832
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338137
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(3,5-dichlorophenyl)-(2-iodophenyl)methanone
CID 24723135
2-[4-(trifluoromethyl)benzenecarbothioyl]benzamide
CID 87378591
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 114970696) is (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is PKOMXFNKXRIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3IO/c15-14(16,17)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)18/h1-8H.
What are the key properties of (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.12 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114970696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).