1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one

C10H16F2O — CID 126974544

IUPAC1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CCC(F)(F)C1
InChIInChI=1S/C10H16F2O/c1-7(2)9(13)5-8-3-4-10(11,12)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQHCZTRCIXXYMJC-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.04
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one

1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one (PubChem CID 126974544) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
PubChem CID126974544
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CCC(F)(F)C1
InChIInChI=1S/C10H16F2O/c1-7(2)9(13)5-8-3-4-10(11,12)6-8/h7-8H,3-6H2,1-2H3
InChIKeyQHCZTRCIXXYMJC-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
CID 114224662
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
S-[(3,3-difluorocyclopentyl)methyl] ethanethioate
CID 119030898
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
CID 142465564
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one (CID 126974544) is 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one is CC(C)C(=O)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one?
The InChIKey is QHCZTRCIXXYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)9(13)5-8-3-4-10(11,12)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one?
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one has a molecular weight of 190.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one is sourced from PubChem (CID 126974544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).