1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone

C24H20F2O3 — CID 134401518

IUPAC1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1F
InChIInChI=1S/C24H20F2O3/c1-15(27)20-11-17(20)14-28-24-10-7-16(12-23(24)26)21-13-19(8-9-22(21)25)29-18-5-3-2-4-6-18/h2-10,12-13,17,20H,11,14H2,1H3
InChIKeyIMIVDIWOPPRHTA-UHFFFAOYSA-N
MW394.42 g/mol
LogP6.03
Rot. Bonds7

About 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone

1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone (PubChem CID 134401518) has the molecular formula C24H20F2O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
PubChem CID134401518
Molecular FormulaC24H20F2O3
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1F
InChIInChI=1S/C24H20F2O3/c1-15(27)20-11-17(20)14-28-24-10-7-16(12-23(24)26)21-13-19(8-9-22(21)25)29-18-5-3-2-4-6-18/h2-10,12-13,17,20H,11,14H2,1H3
InChIKeyIMIVDIWOPPRHTA-UHFFFAOYSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386999
1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
CID 134401525
cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 135359405
cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
CID 130387038
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
4-fluoro-3-[3-fluoro-4-(2-iodoethoxy)phenyl]benzoic acid
CID 163874760
4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
CID 11438746
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone (CID 134401518) is 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone is CC(=O)C1CC1COc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1F.
What is the InChIKey of 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone?
The InChIKey is IMIVDIWOPPRHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2O3/c1-15(27)20-11-17(20)14-28-24-10-7-16(12-23(24)26)21-13-19(8-9-22(21)25)29-18-5-3-2-4-6-18/h2-10,12-13,17,20H,11,14H2,1H3.
What are the key properties of 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone?
1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone has a molecular weight of 394.42 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone is sourced from PubChem (CID 134401518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).