1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one

C16H22FNO — CID 132989300

IUPAC1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyBCJXLSGKMNRRKO-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one

1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one (PubChem CID 132989300) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one
PubChem CID132989300
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyBCJXLSGKMNRRKO-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Metamfepramone
CID 71872
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
Azabuperone
CID 18484
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one (CID 132989300) is 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one is CCCCC(C(=O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one?
The InChIKey is BCJXLSGKMNRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one?
1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 132989300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).