1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium

C11H14F2N+ — CID 2247087

IUPAC1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium
SMILESFc1cccc(F)c1C[NH+]1CCCC1
InChIInChI=1S/C11H13F2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2/p+1
InChIKeyIOKIJFFBMNOMDC-UHFFFAOYSA-O
MW198.24 g/mol
LogP1.14
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium

1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium (PubChem CID 2247087) has the molecular formula C11H14F2N+ and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium
PubChem CID2247087
Molecular FormulaC11H14F2N+
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium
SMILESFc1cccc(F)c1C[NH+]1CCCC1
InChIInChI=1S/C11H13F2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2/p+1
InChIKeyIOKIJFFBMNOMDC-UHFFFAOYSA-O
XLogP1.14
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2,6-difluorophenyl)methyl]piperidin-1-ium
CID 6929042
1,4-bis[(2,6-difluorophenyl)methyl]piperazine-1,4-diium
CID 6957083
1-[(2-fluorophenyl)methyl]azocan-1-ium
CID 7446378
1-[(2-fluorophenyl)methyl]azepan-1-ium
CID 7439813
1-(4-chlorophenyl)sulfonyl-4-[(2,6-difluorophenyl)methyl]piperazin-4-ium
CID 5056582
1-[(2-chloro-6-fluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6943088
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
(2R,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 2059242
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7441236
1,2-bis[1-[(2,6-difluorophenyl)methyl]cyclobutyl]ethane-1,2-diol
CID 69233042
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810728
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium (CID 2247087) is 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium is Fc1cccc(F)c1C[NH+]1CCCC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium?
The InChIKey is IOKIJFFBMNOMDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13F2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2/p+1.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium?
1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium has a molecular weight of 198.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]pyrrolidin-1-ium is sourced from PubChem (CID 2247087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).