(3-fluorocyclopentyl)-phenylmethanone

C12H13FO — CID 118362801

IUPAC(3-fluorocyclopentyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCC(F)C1
InChIInChI=1S/C12H13FO/c13-11-7-6-10(8-11)12(14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyODTLXXNIWFJOHV-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.01
Rot. Bonds2

About (3-fluorocyclopentyl)-phenylmethanone

(3-fluorocyclopentyl)-phenylmethanone (PubChem CID 118362801) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (3-fluorocyclopentyl)-phenylmethanone.

Molecular Properties

Compound Name(3-fluorocyclopentyl)-phenylmethanone
PubChem CID118362801
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(3-fluorocyclopentyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCC(F)C1
InChIInChI=1S/C12H13FO/c13-11-7-6-10(8-11)12(14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyODTLXXNIWFJOHV-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
[(1S,3S,4R)-3-hydroxy-4-(methylamino)cyclohexyl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 175910133
N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclopentyl)-phenylmethanone?
The IUPAC name of (3-fluorocyclopentyl)-phenylmethanone (CID 118362801) is (3-fluorocyclopentyl)-phenylmethanone.
What is the SMILES notation for (3-fluorocyclopentyl)-phenylmethanone?
The canonical SMILES for (3-fluorocyclopentyl)-phenylmethanone is O=C(c1ccccc1)C1CCC(F)C1.
What is the InChIKey of (3-fluorocyclopentyl)-phenylmethanone?
The InChIKey is ODTLXXNIWFJOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-7-6-10(8-11)12(14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of (3-fluorocyclopentyl)-phenylmethanone?
(3-fluorocyclopentyl)-phenylmethanone has a molecular weight of 192.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclopentyl)-phenylmethanone is sourced from PubChem (CID 118362801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).