(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone

C11H8F5NO — CID 2169089

IUPAC(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N1CCCC1
InChIInChI=1S/C11H8F5NO/c12-6-5(11(18)17-3-1-2-4-17)7(13)9(15)10(16)8(6)14/h1-4H2
InChIKeyARQJMKHZRCJNBT-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.62
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone

(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 2169089) has the molecular formula C11H8F5NO and a molecular weight of 265.18 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID2169089
Molecular FormulaC11H8F5NO
Molecular Weight265.18 g/mol
Exact Mass265.05
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N1CCCC1
InChIInChI=1S/C11H8F5NO/c12-6-5(11(18)17-3-1-2-4-17)7(13)9(15)10(16)8(6)14/h1-4H2
InChIKeyARQJMKHZRCJNBT-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.62
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

(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 70858755
[3-(bromomethyl)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 80659023
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
CID 62090446
(3-bromo-2-chloro-6-fluorophenyl)-piperidin-1-ylmethanone
CID 164894050
[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-(2,3,5,6-tetrafluoro-4-methoxyphenyl)methanone
CID 17110302
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone (CID 2169089) is (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCCC1.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is ARQJMKHZRCJNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO/c12-6-5(11(18)17-3-1-2-4-17)7(13)9(15)10(16)8(6)14/h1-4H2.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone?
(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 265.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2169089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).