1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

C10H14FN — CID 22638301

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1(N2CCCC2)C=CC=CC1
InChIInChI=1S/C10H14FN/c11-10(6-2-1-3-7-10)12-8-4-5-9-12/h1-3,6H,4-5,7-9H2
InChIKeyKQWMRTQJPXWGFM-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.26
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 22638301) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID22638301
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1(N2CCCC2)C=CC=CC1
InChIInChI=1S/C10H14FN/c11-10(6-2-1-3-7-10)12-8-4-5-9-12/h1-3,6H,4-5,7-9H2
InChIKeyKQWMRTQJPXWGFM-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (CID 22638301) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is FC1(N2CCCC2)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is KQWMRTQJPXWGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-10(6-2-1-3-7-10)12-8-4-5-9-12/h1-3,6H,4-5,7-9H2.
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 22638301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).