(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one

C18H26FNO — CID 125181338

IUPAC(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
SMILESCCCCCC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H26FNO/c1-2-3-4-5-8-17(20-13-6-7-14-20)18(21)15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3/t17-/m1/s1
InChIKeyMNXIGHJMEAJIEV-QGZVFWFLSA-N
MW291.41 g/mol
LogP4.44
Rot. Bonds8

About (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one

(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one (PubChem CID 125181338) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
PubChem CID125181338
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
SMILESCCCCCC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H26FNO/c1-2-3-4-5-8-17(20-13-6-7-14-20)18(21)15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3/t17-/m1/s1
InChIKeyMNXIGHJMEAJIEV-QGZVFWFLSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
Melperone hydrochloride
CID 9926325
Lanperisone
CID 198707
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
4-Methylethcathinone
CID 52988259
Pentedrone
CID 57501499
alpha-PHP
CID 102107923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one?
The IUPAC name of (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one (CID 125181338) is (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one?
The canonical SMILES for (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one is CCCCCC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one?
The InChIKey is MNXIGHJMEAJIEV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-3-4-5-8-17(20-13-6-7-14-20)18(21)15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one?
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one has a molecular weight of 291.41 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one is sourced from PubChem (CID 125181338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).