bis(2-fluoro-3-methoxyphenyl)methanone

C15H12F2O3 — CID 70479796

IUPACbis(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2F)c1F
InChIInChI=1S/C15H12F2O3/c1-19-11-7-3-5-9(13(11)16)15(18)10-6-4-8-12(20-2)14(10)17/h3-8H,1-2H3
InChIKeyLNPHVDLNLVBWCH-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.21
Rot. Bonds4

About bis(2-fluoro-3-methoxyphenyl)methanone

bis(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 70479796) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is bis(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Namebis(2-fluoro-3-methoxyphenyl)methanone
PubChem CID70479796
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namebis(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2F)c1F
InChIInChI=1S/C15H12F2O3/c1-19-11-7-3-5-9(13(11)16)15(18)10-6-4-8-12(20-2)14(10)17/h3-8H,1-2H3
InChIKeyLNPHVDLNLVBWCH-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methanone
CID 105123706
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767
2-(2-fluoro-3-methoxyphenyl)but-2-enoic acid
CID 174955352
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771

Frequently Asked Questions

What is the IUPAC name of bis(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of bis(2-fluoro-3-methoxyphenyl)methanone (CID 70479796) is bis(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for bis(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for bis(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cccc(OC)c2F)c1F.
What is the InChIKey of bis(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is LNPHVDLNLVBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-11-7-3-5-9(13(11)16)15(18)10-6-4-8-12(20-2)14(10)17/h3-8H,1-2H3.
What are the key properties of bis(2-fluoro-3-methoxyphenyl)methanone?
bis(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 278.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 70479796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).