(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one

C9H13FO — CID 130618180

IUPAC(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)C[C@@]1(F)CCCC1=O
InChIInChI=1S/C9H13FO/c1-7(2)6-9(10)5-3-4-8(9)11/h1,3-6H2,2H3/t9-/m0/s1
InChIKeyRZLKDCBGWTVPFE-VIFPVBQESA-N
MW156.20 g/mol
LogP2.41
Rot. Bonds2

About (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one

(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one (PubChem CID 130618180) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
PubChem CID130618180
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)C[C@@]1(F)CCCC1=O
InChIInChI=1S/C9H13FO/c1-7(2)6-9(10)5-3-4-8(9)11/h1,3-6H2,2H3/t9-/m0/s1
InChIKeyRZLKDCBGWTVPFE-VIFPVBQESA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-prop-2-enylcyclododecan-1-one
CID 14342872
methyl 1-(3-methylbut-3-enyl)-2-oxocyclopentane-1-carboxylate
CID 13346573
6-fluoro-4,4-dimethyl-6-(2-methylprop-2-enyl)cyclohex-2-en-1-one
CID 14665462
1-(3-methylbut-3-enyl)-2-oxocyclohexane-1-carboxylic acid
CID 103575013
(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
CID 134953462
1-(2-methylprop-2-enyl)cyclobutane-1-carbaldehyde
CID 131051528
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
ethyl (1R)-1-fluoro-2-oxocyclopentane-1-carboxylate
CID 12847394
ethyl (1S)-1-fluoro-2-oxocyclopentane-1-carboxylate
CID 101405891
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
CID 90921399
1-(2-methylprop-2-enyl)cyclopentane-1-carbaldehyde
CID 130730351
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The IUPAC name of (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one (CID 130618180) is (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one.
What is the SMILES notation for (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The canonical SMILES for (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one is C=C(C)C[C@@]1(F)CCCC1=O.
What is the InChIKey of (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The InChIKey is RZLKDCBGWTVPFE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13FO/c1-7(2)6-9(10)5-3-4-8(9)11/h1,3-6H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one?
(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one has a molecular weight of 156.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 130618180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).