1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one

C10H16F2O — CID 177196687

IUPAC1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C)CCC(F)(F)C1
InChIInChI=1S/C10H16F2O/c1-7(2)8(13)9(3)4-5-10(11,12)6-9/h7H,4-6H2,1-3H3
InChIKeyNZWFYAWWUMSJNR-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.04
Rot. Bonds2

About 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one

1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one (PubChem CID 177196687) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one
PubChem CID177196687
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C)CCC(F)(F)C1
InChIInChI=1S/C10H16F2O/c1-7(2)8(13)9(3)4-5-10(11,12)6-9/h7H,4-6H2,1-3H3
InChIKeyNZWFYAWWUMSJNR-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
2-methyl-1-(3-methyloxetan-3-yl)propan-1-one
CID 67476798
2-methyl-1-[(1R,5S)-1,3,5-trimethyl-3-(3-methylbut-1-en-2-yl)-5-(2-methylpropanoyl)cyclohexyl]propan-1-one
CID 161466830
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
2-methyl-1-[(4S)-1,3,3,4-tetramethylcyclopentyl]propan-1-one
CID 130340533
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
2-methyl-1-[4-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propan-1-one
CID 146551437
4-(2-methylpropanoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146565108
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
CID 155710323

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one (CID 177196687) is 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one is CC(C)C(=O)C1(C)CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one?
The InChIKey is NZWFYAWWUMSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)8(13)9(3)4-5-10(11,12)6-9/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one?
1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one has a molecular weight of 190.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclopentyl)-2-methylpropan-1-one is sourced from PubChem (CID 177196687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).