1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one

C11H9F5O3 — CID 118808993

IUPAC1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C11H9F5O3/c1-2-8(17)7-4-3-6(19-11(14,15)16)5-9(7)18-10(12)13/h3-5,10H,2H2,1H3
InChIKeyOJWAUGFCJPBHJM-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one

1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 118808993) has the molecular formula C11H9F5O3 and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID118808993
Molecular FormulaC11H9F5O3
Molecular Weight284.18 g/mol
Exact Mass284.05
IUPAC Name1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C11H9F5O3/c1-2-8(17)7-4-3-6(19-11(14,15)16)5-9(7)18-10(12)13/h3-5,10H,2H2,1H3
InChIKeyOJWAUGFCJPBHJM-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134620299
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
CID 118841301
1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 118851290
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
1-bromo-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134615669
3-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 134621121
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one (CID 118808993) is 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one is CCC(=O)c1ccc(OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is OJWAUGFCJPBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O3/c1-2-8(17)7-4-3-6(19-11(14,15)16)5-9(7)18-10(12)13/h3-5,10H,2H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one?
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 284.18 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 118808993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).