2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone

C17H16F2O2 — CID 115788644

IUPAC2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2O2/c1-11(2)21-17-6-4-3-5-13(17)16(20)10-12-7-8-14(18)15(19)9-12/h3-9,11H,10H2,1-2H3
InChIKeyKJZFMTONBQDGDO-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.18
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone

2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 115788644) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
PubChem CID115788644
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2O2/c1-11(2)21-17-6-4-3-5-13(17)16(20)10-12-7-8-14(18)15(19)9-12/h3-9,11H,10H2,1-2H3
InChIKeyKJZFMTONBQDGDO-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 116604431
1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 114023890
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 81472993
2-[2-(3-acetyl-4-fluorophenyl)acetyl]benzoic acid
CID 157251929
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116603294
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562
2-(3,4-difluorophenyl)-1-isoquinolin-4-ylethanone
CID 114971959

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone (CID 115788644) is 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccccc1C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is KJZFMTONBQDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11(2)21-17-6-4-3-5-13(17)16(20)10-12-7-8-14(18)15(19)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone?
2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 290.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 115788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).