1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one

C10H12F6O — CID 130199806

IUPAC1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1CC(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-3-7(17)6-4-5(2)8(6,9(11,12)13)10(14,15)16/h5-6H,3-4H2,1-2H3
InChIKeyPGDPJBKFEXSZTF-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.73
Rot. Bonds2

About 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one

1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one (PubChem CID 130199806) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one
PubChem CID130199806
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1CC(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-3-7(17)6-4-5(2)8(6,9(11,12)13)10(14,15)16/h5-6H,3-4H2,1-2H3
InChIKeyPGDPJBKFEXSZTF-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one?
The IUPAC name of 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one (CID 130199806) is 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one?
The canonical SMILES for 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one is CCC(=O)C1CC(C)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one?
The InChIKey is PGDPJBKFEXSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c1-3-7(17)6-4-5(2)8(6,9(11,12)13)10(14,15)16/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one?
1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one has a molecular weight of 262.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2,2-bis(trifluoromethyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 130199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).