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

C10H14FN — CID 123214823

IUPAC2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CC(C2CCCN2)CC=C1
InChIInChI=1S/C10H14FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,4,7-8,10,12H,2-3,5-6H2
InChIKeyFBERORPXKJQRDJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.17
Rot. Bonds1

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

2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 123214823) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID123214823
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CC(C2CCCN2)CC=C1
InChIInChI=1S/C10H14FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,4,7-8,10,12H,2-3,5-6H2
InChIKeyFBERORPXKJQRDJ-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (CID 123214823) is 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is FC1=CC(C2CCCN2)CC=C1.
What is the InChIKey of 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is FBERORPXKJQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,4,7-8,10,12H,2-3,5-6H2.
What are the key properties of 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 123214823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).