1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one

C11H16F2O — CID 130457436

IUPAC1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
SMILESCCC(=O)C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H16F2O/c1-2-9(14)8-3-5-10(6-4-8)7-11(10,12)13/h8H,2-7H2,1H3
InChIKeyXALAFPFBHBHEEN-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.18
Rot. Bonds2

About 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one

1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one (PubChem CID 130457436) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
PubChem CID130457436
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
SMILESCCC(=O)C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C11H16F2O/c1-2-9(14)8-3-5-10(6-4-8)7-11(10,12)13/h8H,2-7H2,1H3
InChIKeyXALAFPFBHBHEEN-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2-difluorospiro[2.5]octane-6-carboxamide
CID 156872223
1-spiro[4.5]decan-8-ylpropan-1-one
CID 114820945
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
2,2-difluorospiro[2.5]octane-6-carboxylic acid;N-[(2,2-difluorospiro[2.5]octan-6-yl)methyl]ethanamine;N-ethyl-2,2-difluorospiro[2.5]octane-6-carboxamide
CID 165074529
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969
4-propanoylcyclohexane-1-carboxamide
CID 118218321
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
1-(4,4-difluorocyclohexyl)-3-methylhexan-1-one
CID 105091355
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one?
The IUPAC name of 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one (CID 130457436) is 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one?
The canonical SMILES for 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one is CCC(=O)C1CCC2(CC1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one?
The InChIKey is XALAFPFBHBHEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-2-9(14)8-3-5-10(6-4-8)7-11(10,12)13/h8H,2-7H2,1H3.
What are the key properties of 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one?
1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one has a molecular weight of 202.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one is sourced from PubChem (CID 130457436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).