(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine

C13H20FN — CID 145011998

IUPAC(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESCC(C)(F)C1=CCC([C@H]2CCCN2)C=C1
InChIInChI=1S/C13H20FN/c1-13(2,14)11-7-5-10(6-8-11)12-4-3-9-15-12/h5,7-8,10,12,15H,3-4,6,9H2,1-2H3/t10?,12-/m1/s1
InChIKeyQTAANTGXZSKMQF-TVKKRMFBSA-N
MW209.31 g/mol
LogP2.99
Rot. Bonds2

About (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine

(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine (PubChem CID 145011998) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine
PubChem CID145011998
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESCC(C)(F)C1=CCC([C@H]2CCCN2)C=C1
InChIInChI=1S/C13H20FN/c1-13(2,14)11-7-5-10(6-8-11)12-4-3-9-15-12/h5,7-8,10,12,15H,3-4,6,9H2,1-2H3/t10?,12-/m1/s1
InChIKeyQTAANTGXZSKMQF-TVKKRMFBSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-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

3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
CID 59950841
(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
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
2-[(2E,4Z)-6-fluoro-5-methylhepta-2,4,6-trien-3-yl]-7-azabicyclo[2.2.1]heptane
CID 88877714
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
2-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrrolidine
CID 117997940

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine?
The IUPAC name of (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine (CID 145011998) is (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine is CC(C)(F)C1=CCC([C@H]2CCCN2)C=C1.
What is the InChIKey of (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine?
The InChIKey is QTAANTGXZSKMQF-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,14)11-7-5-10(6-8-11)12-4-3-9-15-12/h5,7-8,10,12,15H,3-4,6,9H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine?
(2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]pyrrolidine is sourced from PubChem (CID 145011998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).