1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone

C18H16F4O3 — CID 54146712

IUPAC1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)(F)c2ccc(OC(C)C)c(F)c2F)cc1
InChIInChI=1S/C18H16F4O3/c1-10(2)24-15-9-8-14(16(19)17(15)20)18(21,22)25-13-6-4-12(5-7-13)11(3)23/h4-10H,1-3H3
InChIKeyOEWYYHVEZXKOTK-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.08
Rot. Bonds6

About 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone

1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone (PubChem CID 54146712) has the molecular formula C18H16F4O3 and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone
PubChem CID54146712
Molecular FormulaC18H16F4O3
Molecular Weight356.32 g/mol
Exact Mass356.10
IUPAC Name1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OC(F)(F)c2ccc(OC(C)C)c(F)c2F)cc1
InChIInChI=1S/C18H16F4O3/c1-10(2)24-15-9-8-14(16(19)17(15)20)18(21,22)25-13-6-4-12(5-7-13)11(3)23/h4-10H,1-3H3
InChIKeyOEWYYHVEZXKOTK-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[[2,3-difluoro-4-(2-methylprop-2-enoyloxy)phenyl]-difluoromethoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 122593536
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
CID 145151828
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357
1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone
CID 162419086
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
CID 162436996
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
1-[4-(1-chloroethoxy)phenyl]ethanone
CID 21282318
(4-acetylphenyl) 3-methyl-4-propan-2-yloxybenzenesulfonate
CID 39617500

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone (CID 54146712) is 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone is CC(=O)c1ccc(OC(F)(F)c2ccc(OC(C)C)c(F)c2F)cc1.
What is the InChIKey of 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone?
The InChIKey is OEWYYHVEZXKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4O3/c1-10(2)24-15-9-8-14(16(19)17(15)20)18(21,22)25-13-6-4-12(5-7-13)11(3)23/h4-10H,1-3H3.
What are the key properties of 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone?
1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone has a molecular weight of 356.32 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-difluoro-4-propan-2-yloxyphenyl)-difluoromethoxy]phenyl]ethanone is sourced from PubChem (CID 54146712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).