(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone

C16H14F2O2 — CID 106876723

IUPAC(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8H,1-3H3
InChIKeyBNKLRVCWIDQZMP-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.82
Rot. Bonds3

About (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone

(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 106876723) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID106876723
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8H,1-3H3
InChIKeyBNKLRVCWIDQZMP-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
3-fluoro-4-methoxybenzoate
CID 4251674
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 106876723) is (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)cc(F)cc2C)cc1F.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is BNKLRVCWIDQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8H,1-3H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 276.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 106876723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).