(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone

C14H8Cl2F2O — CID 114275342

IUPAC(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C14H8Cl2F2O/c1-7-8(3-2-4-9(7)15)14(19)12-10(16)5-6-11(17)13(12)18/h2-6H,1H3
InChIKeyHPOFYVIJIPRYTN-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.81
Rot. Bonds2

About (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone

(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 114275342) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
PubChem CID114275342
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C14H8Cl2F2O/c1-7-8(3-2-4-9(7)15)14(19)12-10(16)5-6-11(17)13(12)18/h2-6H,1H3
InChIKeyHPOFYVIJIPRYTN-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone (CID 114275342) is (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1c(Cl)ccc(F)c1F.
What is the InChIKey of (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is HPOFYVIJIPRYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c1-7-8(3-2-4-9(7)15)14(19)12-10(16)5-6-11(17)13(12)18/h2-6H,1H3.
What are the key properties of (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone?
(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 301.12 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 114275342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).