1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one

C10H7F5O — CID 150013238

IUPAC1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C10H7F5O/c1-2-9(16)5-3-8(12)6(4-7(5)11)10(13,14)15/h3-4H,2H2,1H3
InChIKeyDDSMYFFEIVBXFF-UHFFFAOYSA-N
MW238.15 g/mol
LogP3.58
Rot. Bonds2

About 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one

1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 150013238) has the molecular formula C10H7F5O and a molecular weight of 238.15 g/mol. Its IUPAC name is 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID150013238
Molecular FormulaC10H7F5O
Molecular Weight238.15 g/mol
Exact Mass238.04
IUPAC Name1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C10H7F5O/c1-2-9(16)5-3-8(12)6(4-7(5)11)10(13,14)15/h3-4H,2H2,1H3
InChIKeyDDSMYFFEIVBXFF-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one (CID 150013238) is 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one is CCC(=O)c1cc(F)c(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DDSMYFFEIVBXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O/c1-2-9(16)5-3-8(12)6(4-7(5)11)10(13,14)15/h3-4H,2H2,1H3.
What are the key properties of 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one?
1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 238.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 150013238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).