[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone

C16H14F2O3 — CID 22260789

IUPAC[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
SMILESCOC(OC)c1ccc(F)c(C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H14F2O3/c1-20-16(21-2)11-6-7-14(18)13(9-11)15(19)10-4-3-5-12(17)8-10/h3-9,16H,1-2H3
InChIKeyYDWQSPCSBXPRJX-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.49
Rot. Bonds5

About [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone

[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone (PubChem CID 22260789) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
PubChem CID22260789
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone
SMILESCOC(OC)c1ccc(F)c(C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H14F2O3/c1-20-16(21-2)11-6-7-14(18)13(9-11)15(19)10-4-3-5-12(17)8-10/h3-9,16H,1-2H3
InChIKeyYDWQSPCSBXPRJX-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2,5-difluorophenyl)-(3-iodophenyl)methanone
CID 43159823
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
methyl 3-fluorobenzoate
CID 521184
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416

Frequently Asked Questions

What is the IUPAC name of [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone (CID 22260789) is [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone is COC(OC)c1ccc(F)c(C(=O)c2cccc(F)c2)c1.
What is the InChIKey of [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone?
The InChIKey is YDWQSPCSBXPRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-20-16(21-2)11-6-7-14(18)13(9-11)15(19)10-4-3-5-12(17)8-10/h3-9,16H,1-2H3.
What are the key properties of [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone?
[5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone has a molecular weight of 292.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethoxymethyl)-2-fluorophenyl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 22260789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).