2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one

C9H13F3O — CID 59470777

IUPAC2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
SMILESCC(C)(C)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3O/c1-7(2,3)6(13)8(4-5-8)9(10,11)12/h4-5H2,1-3H3
InChIKeySUCPZECEYSEJPL-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.94
Rot. Bonds1

About 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one

2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one (PubChem CID 59470777) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
PubChem CID59470777
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one
SMILESCC(C)(C)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3O/c1-7(2,3)6(13)8(4-5-8)9(10,11)12/h4-5H2,1-3H3
InChIKeySUCPZECEYSEJPL-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one (CID 59470777) is 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one is CC(C)(C)C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
The InChIKey is SUCPZECEYSEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-7(2,3)6(13)8(4-5-8)9(10,11)12/h4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one?
2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one has a molecular weight of 194.20 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]propan-1-one is sourced from PubChem (CID 59470777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).