bis(2,2-difluoro-1-methylcyclopropyl)methanone

C9H10F4O — CID 19098833

IUPACbis(2,2-difluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)CC2(F)F)CC1(F)F
InChIInChI=1S/C9H10F4O/c1-6(3-8(6,10)11)5(14)7(2)4-9(7,12)13/h3-4H2,1-2H3
InChIKeyLMUHEMYHQCVJLI-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.65
Rot. Bonds2

About bis(2,2-difluoro-1-methylcyclopropyl)methanone

bis(2,2-difluoro-1-methylcyclopropyl)methanone (PubChem CID 19098833) has the molecular formula C9H10F4O and a molecular weight of 210.17 g/mol. Its IUPAC name is bis(2,2-difluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Namebis(2,2-difluoro-1-methylcyclopropyl)methanone
PubChem CID19098833
Molecular FormulaC9H10F4O
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namebis(2,2-difluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2(C)CC2(F)F)CC1(F)F
InChIInChI=1S/C9H10F4O/c1-6(3-8(6,10)11)5(14)7(2)4-9(7,12)13/h3-4H2,1-2H3
InChIKeyLMUHEMYHQCVJLI-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoro-1-methylcyclopropyl)methanone?
The IUPAC name of bis(2,2-difluoro-1-methylcyclopropyl)methanone (CID 19098833) is bis(2,2-difluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for bis(2,2-difluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for bis(2,2-difluoro-1-methylcyclopropyl)methanone is CC1(C(=O)C2(C)CC2(F)F)CC1(F)F.
What is the InChIKey of bis(2,2-difluoro-1-methylcyclopropyl)methanone?
The InChIKey is LMUHEMYHQCVJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O/c1-6(3-8(6,10)11)5(14)7(2)4-9(7,12)13/h3-4H2,1-2H3.
What are the key properties of bis(2,2-difluoro-1-methylcyclopropyl)methanone?
bis(2,2-difluoro-1-methylcyclopropyl)methanone has a molecular weight of 210.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 19098833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).