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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
6-Azabicyclo[3.2.1]oct-3-ene
CID 57766358
Hexahydrocyclopenta[f]indole
CID 70115040
(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
CID 66694342
5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 66694347
(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 66695539
3-fluoro-4-[(2R)-pyrrolidin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68024007
1-[(1S,2S)-2-[4-(3-fluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropyl]-N-methylmethanamine
CID 70814158
3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087

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).