1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine

C11H16FN — CID 163817092

IUPAC1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine
SMILESFC1=CC(CN2CCCC2)CC=C1
InChIInChI=1S/C11H16FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3,5,8,10H,1-2,4,6-7,9H2
InChIKeyNSGZIEIXRQYIJP-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.51
Rot. Bonds2

About 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine

1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine (PubChem CID 163817092) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine
PubChem CID163817092
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine
SMILESFC1=CC(CN2CCCC2)CC=C1
InChIInChI=1S/C11H16FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3,5,8,10H,1-2,4,6-7,9H2
InChIKeyNSGZIEIXRQYIJP-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 22638301
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
1-Cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine
CID 88993113
3-Fluoro-1-hex-3-enyl-4-methylpyrrolidine
CID 123611111
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
CID 129295738
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535
3,3-Difluoro-1-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pyrrolidine
CID 139317773
3-[(E)-2-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]-1-prop-2-ynylpyrrolidine
CID 142308800
N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 143866594
3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-methylpyrrolidine
CID 144301362
1-[(2,6-Difluorocyclohexa-1,3-dien-1-yl)methyl]-3-ethylpyrrolidine
CID 144347110
(3R)-1-[(2E,3E)-3-fluoro-2-(fluoromethylidene)hexa-3,5-dienyl]-3-methylpyrrolidine
CID 144347563

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine (CID 163817092) is 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine is FC1=CC(CN2CCCC2)CC=C1.
What is the InChIKey of 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine?
The InChIKey is NSGZIEIXRQYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3,5,8,10H,1-2,4,6-7,9H2.
What are the key properties of 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine?
1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 163817092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).