4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one

C15H18FNO2 — CID 156714630

IUPAC4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
SMILESC=C(F)CCC(=O)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H18FNO2/c1-12(16)7-8-15(18)17-10-9-14(11-17)19-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2
InChIKeyLWIBDTHISOAJBL-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.93
Rot. Bonds5

About 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one

4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one (PubChem CID 156714630) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
PubChem CID156714630
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
SMILESC=C(F)CCC(=O)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H18FNO2/c1-12(16)7-8-15(18)17-10-9-14(11-17)19-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2
InChIKeyLWIBDTHISOAJBL-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
CID 118778125
1-[3-(4-benzylphenoxy)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 142479915
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
CID 159433651
3-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-phenoxypyrrolidin-1-yl]propan-1-one
CID 126442985
3-[3-oxo-3-(3-phenoxyazetidin-1-yl)propyl]sulfanyl-1-(3-phenoxyazetidin-1-yl)propan-1-one
CID 166196585
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
1-[(3S)-3-phenoxypyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 125158129
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one?
The IUPAC name of 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one (CID 156714630) is 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one?
The canonical SMILES for 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one is C=C(F)CCC(=O)N1CCC(Oc2ccccc2)C1.
What is the InChIKey of 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one?
The InChIKey is LWIBDTHISOAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-12(16)7-8-15(18)17-10-9-14(11-17)19-13-5-3-2-4-6-13/h2-6,14H,1,7-11H2.
What are the key properties of 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one?
4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one has a molecular weight of 263.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 156714630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).