(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone

C14H7F5O2 — CID 57049068

IUPAC(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
SMILESCOc1c(C(=O)c2cccc(F)c2F)cc(F)c(F)c1F
InChIInChI=1S/C14H7F5O2/c1-21-14-7(5-9(16)11(18)12(14)19)13(20)6-3-2-4-8(15)10(6)17/h2-5H,1H3
InChIKeyLXGKNQOISJEGKH-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.62
Rot. Bonds3

About (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone

(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone (PubChem CID 57049068) has the molecular formula C14H7F5O2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
PubChem CID57049068
Molecular FormulaC14H7F5O2
Molecular Weight302.20 g/mol
Exact Mass302.04
IUPAC Name(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
SMILESCOc1c(C(=O)c2cccc(F)c2F)cc(F)c(F)c1F
InChIInChI=1S/C14H7F5O2/c1-21-14-7(5-9(16)11(18)12(14)19)13(20)6-3-2-4-8(15)10(6)17/h2-5H,1H3
InChIKeyLXGKNQOISJEGKH-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone (CID 57049068) is (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone is COc1c(C(=O)c2cccc(F)c2F)cc(F)c(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone?
The InChIKey is LXGKNQOISJEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O2/c1-21-14-7(5-9(16)11(18)12(14)19)13(20)6-3-2-4-8(15)10(6)17/h2-5H,1H3.
What are the key properties of (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone?
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone has a molecular weight of 302.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 57049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).