1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one

C17H24FNO — CID 164946389

IUPAC1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(F)c(C)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c1-3-4-7-16(19-10-5-6-11-19)17(20)14-8-9-15(18)13(2)12-14/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyKKMPRBNAIVRUGC-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.97
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one

1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one (PubChem CID 164946389) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
PubChem CID164946389
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(F)c(C)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c1-3-4-7-16(19-10-5-6-11-19)17(20)14-8-9-15(18)13(2)12-14/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyKKMPRBNAIVRUGC-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Alpha-Pyrrolidinopentiophenone
CID 11148955
Metamfepramone
CID 71872
Pyrovalerone
CID 14373
Naphyrone
CID 11243002
Lanperisone
CID 198707
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
CID 65860
alpha-Pyrrolidinononanophenone
CID 69247748
alpha-PHP
CID 102107923
1-(2-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311147

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one (CID 164946389) is 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one is CCCCC(C(=O)c1ccc(F)c(C)c1)N1CCCC1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The InChIKey is KKMPRBNAIVRUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-4-7-16(19-10-5-6-11-19)17(20)14-8-9-15(18)13(2)12-14/h8-9,12,16H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 164946389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).