(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone

C14H8ClF3O2 — CID 79749846

IUPAC(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C14H8ClF3O2/c1-20-11-5-2-7(6-9(11)15)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3
InChIKeyCKEXRSHBCFDMTQ-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.00
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone

(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 79749846) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID79749846
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C14H8ClF3O2/c1-20-11-5-2-7(6-9(11)15)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3
InChIKeyCKEXRSHBCFDMTQ-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(2,3,4,5,6-pentafluorophenyl) 3-chloro-4-methoxybenzoate
CID 143457170
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone (CID 79749846) is (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone is COc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is CKEXRSHBCFDMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c1-20-11-5-2-7(6-9(11)15)14(19)8-3-4-10(16)13(18)12(8)17/h2-6H,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone?
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 300.66 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 79749846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).