1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C16H19F2NO3S — CID 168714779

IUPAC1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H19F2NO3S/c17-14-6-2-1-5-13(14)16(7-3-4-8-16)11-19-10-12(9-15(19)20)23(18,21)22/h1-2,5-6,12H,3-4,7-11H2
InChIKeyVWJKQUVGKAGBSJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.54
Rot. Bonds4

About 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714779) has the molecular formula C16H19F2NO3S and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714779
Molecular FormulaC16H19F2NO3S
Molecular Weight343.39 g/mol
Exact Mass343.11
IUPAC Name1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H19F2NO3S/c17-14-6-2-1-5-13(14)16(7-3-4-8-16)11-19-10-12(9-15(19)20)23(18,21)22/h1-2,5-6,12H,3-4,7-11H2
InChIKeyVWJKQUVGKAGBSJ-UHFFFAOYSA-N
XLogP2.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
CID 168685185
1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714885
1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-(2-isoquinolin-3-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714909
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947
5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714925
5-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714899
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714779) is 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CC1(c2ccccc2F)CCCC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is VWJKQUVGKAGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3S/c17-14-6-2-1-5-13(14)16(7-3-4-8-16)11-19-10-12(9-15(19)20)23(18,21)22/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 343.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).