1-[1-(trifluoromethyl)cyclopropyl]propan-1-one

C7H9F3O — CID 67725840

IUPAC1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O/c1-2-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3
InChIKeyLELMPFVXFHBULI-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.31
Rot. Bonds2

About 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one

1-[1-(trifluoromethyl)cyclopropyl]propan-1-one (PubChem CID 67725840) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
PubChem CID67725840
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O/c1-2-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3
InChIKeyLELMPFVXFHBULI-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Difluoro-1-methylcyclobutyl)ethan-1-one
CID 20614512
1-(1-(Trifluoromethyl)cyclopropyl)ethan-1-one
CID 59649469
1-[1-(Difluoromethyl)cyclopropyl]ethan-1-one
CID 105427789
1,1-Difluorospiro[2.3]hexan-5-one
CID 146082145
1-(2,2-Difluoro-1-methylcyclopropyl)ethan-1-one
CID 14695230
1,1,1-Trifluoro-5,5-dimethylhexan-2-one
CID 58459502
Trifluoromethyldimethylpentanedione
CID 129679633
1,1,1-Trifluoro-5,5-dimethyl-hexan-3-one
CID 12578048
5,5,5-Trifluoro-3,3-dimethylpentan-2-one
CID 18337744
Bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
3-Methyl-3-(trifluoromethyl)pentan-2-one
CID 21051695
2,4-Dimethyl-4-(trifluoromethyl)hexan-3-one
CID 21734861

Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one (CID 67725840) is 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one is CCC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The InChIKey is LELMPFVXFHBULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-2-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
1-[1-(trifluoromethyl)cyclopropyl]propan-1-one has a molecular weight of 166.14 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]propan-1-one is sourced from PubChem (CID 67725840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).