(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone

C14H10F2O2 — CID 22015795

IUPAC(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-13-6-5-10(8-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3
InChIKeyRGQOPHVPKZRSNI-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.20
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone

(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone (PubChem CID 22015795) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
PubChem CID22015795
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-13-6-5-10(8-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3
InChIKeyRGQOPHVPKZRSNI-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone (CID 22015795) is (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone is COc1ccc(C(=O)c2cccc(F)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone?
The InChIKey is RGQOPHVPKZRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-13-6-5-10(8-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone has a molecular weight of 248.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 22015795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).