bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone

C9H8F6O — CID 158810556

IUPACbis(2,2,3-trifluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)C(F)C2(F)F)C(F)C1(F)F
InChIInChI=1S/C9H8F6O/c1-6(3(10)8(6,12)13)5(16)7(2)4(11)9(7,14)15/h3-4H,1-2H3
InChIKeyIUQAFVFTGCBCPS-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.54
Rot. Bonds2

About bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone

bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone (PubChem CID 158810556) has the molecular formula C9H8F6O and a molecular weight of 246.15 g/mol. Its IUPAC name is bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Namebis(2,2,3-trifluoro-1-methylcyclopropyl)methanone
PubChem CID158810556
Molecular FormulaC9H8F6O
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Namebis(2,2,3-trifluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)C(F)C2(F)F)C(F)C1(F)F
InChIInChI=1S/C9H8F6O/c1-6(3(10)8(6,12)13)5(16)7(2)4(11)9(7,14)15/h3-4H,1-2H3
InChIKeyIUQAFVFTGCBCPS-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone?
The IUPAC name of bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone (CID 158810556) is bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone is CC1(C(=O)C2(C)C(F)C2(F)F)C(F)C1(F)F.
What is the InChIKey of bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone?
The InChIKey is IUQAFVFTGCBCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O/c1-6(3(10)8(6,12)13)5(16)7(2)4(11)9(7,14)15/h3-4H,1-2H3.
What are the key properties of bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone?
bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone has a molecular weight of 246.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3-trifluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 158810556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).