1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one

C10H17FO — CID 161235938

IUPAC1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CC[C@@H](F)C1
InChIInChI=1S/C10H17FO/c1-10(2,3)9(12)7-4-5-8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUZJHOVXTRDKHIX-JGVFFNPUSA-N
MW172.24 g/mol
LogP2.74
Rot. Bonds1

About 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one

1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one (PubChem CID 161235938) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
PubChem CID161235938
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1CC[C@@H](F)C1
InChIInChI=1S/C10H17FO/c1-10(2,3)9(12)7-4-5-8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUZJHOVXTRDKHIX-JGVFFNPUSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
CID 129418708
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
1-[3-(difluoromethyl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176833501
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075
2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
CID 163399683
1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
CID 129093514

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one (CID 161235938) is 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[C@H]1CC[C@@H](F)C1.
What is the InChIKey of 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one?
The InChIKey is UZJHOVXTRDKHIX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17FO/c1-10(2,3)9(12)7-4-5-8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one?
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one has a molecular weight of 172.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 161235938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).