1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine

C10H14FN — CID 88993113

IUPAC1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine
SMILESFC1CCN(C2C=CC=CC2)C1
InChIInChI=1S/C10H14FN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5-8H2
InChIKeyKFAKHNVJKPPNJW-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.91
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine

1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine (PubChem CID 88993113) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine
PubChem CID88993113
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine
SMILESFC1CCN(C2C=CC=CC2)C1
InChIInChI=1S/C10H14FN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5-8H2
InChIKeyKFAKHNVJKPPNJW-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine (CID 88993113) is 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine is FC1CCN(C2C=CC=CC2)C1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine?
The InChIKey is KFAKHNVJKPPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-4,9-10H,5-8H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine?
1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine is sourced from PubChem (CID 88993113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).