3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one

C14H13F5O — CID 146007743

IUPAC3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
SMILESO=C(CCC1CCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H13F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKeyOQZRFPSXXOOCSR-UHFFFAOYSA-N
MW292.25 g/mol
LogP4.54
Rot. Bonds4

About 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one

3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one (PubChem CID 146007743) has the molecular formula C14H13F5O and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
PubChem CID146007743
Molecular FormulaC14H13F5O
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
SMILESO=C(CCC1CCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H13F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-5-7-3-1-2-4-7/h7H,1-6H2
InChIKeyOQZRFPSXXOOCSR-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 3-cyclohexylpropanoate
CID 163646046
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CID 146007732
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
3-cyclohexyl-1-(furan-3-yl)propan-1-one
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3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
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3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476
sodium 3-cyclopentylpropanoate
CID 162201470
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one (CID 146007743) is 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one is O=C(CCC1CCCC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one?
The InChIKey is OQZRFPSXXOOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-5-7-3-1-2-4-7/h7H,1-6H2.
What are the key properties of 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one?
3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one has a molecular weight of 292.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,3,4,5,6-pentafluorophenyl)propan-1-one is sourced from PubChem (CID 146007743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).