[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C15H23ClF3NO — CID 104622730

IUPAC[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCCl
InChIInChI=1S/C15H23ClF3NO/c16-9-3-5-11-6-4-10-20(11)14(21)12-7-1-2-8-13(12)15(17,18)19/h11-13H,1-10H2
InChIKeyMEJKTOFTMNLSPH-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.37
Rot. Bonds4

About [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622730) has the molecular formula C15H23ClF3NO and a molecular weight of 325.80 g/mol. Its IUPAC name is [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622730
Molecular FormulaC15H23ClF3NO
Molecular Weight325.80 g/mol
Exact Mass325.14
IUPAC Name[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCCl
InChIInChI=1S/C15H23ClF3NO/c16-9-3-5-11-6-4-10-20(11)14(21)12-7-1-2-8-13(12)15(17,18)19/h11-13H,1-10H2
InChIKeyMEJKTOFTMNLSPH-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone 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-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 63396360
[2-(3-chloropropyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922712
2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
[2-(3-chloropropyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 55185740
(4-tert-butylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 63396240
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100163
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 66394444
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62468280
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 63396449

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622730) is [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCCl.
What is the InChIKey of [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is MEJKTOFTMNLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClF3NO/c16-9-3-5-11-6-4-10-20(11)14(21)12-7-1-2-8-13(12)15(17,18)19/h11-13H,1-10H2.
What are the key properties of [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 325.80 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).