(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol

C7H12Cl3NO — CID 130693205

IUPAC(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C7H12Cl3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h6,12H,1-5H2/t6-/m0/s1
InChIKeyKHZJPVKVSPIXIT-LURJTMIESA-N
MW232.54 g/mol
LogP1.81
Rot. Bonds2

About (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol

(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol (PubChem CID 130693205) has the molecular formula C7H12Cl3NO and a molecular weight of 232.54 g/mol. Its IUPAC name is (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
PubChem CID130693205
Molecular FormulaC7H12Cl3NO
Molecular Weight232.54 g/mol
Exact Mass231.00
IUPAC Name(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C7H12Cl3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h6,12H,1-5H2/t6-/m0/s1
InChIKeyKHZJPVKVSPIXIT-LURJTMIESA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.54
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
CID 121494130
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
(3R,4S)-1-(3,3,3-trichloropropyl)pyrrolidine-3,4-diol
CID 130979374
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
CID 167969156
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol (CID 130693205) is (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol is O[C@H]1CCN(CCC(Cl)(Cl)Cl)C1.
What is the InChIKey of (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol?
The InChIKey is KHZJPVKVSPIXIT-LURJTMIESA-N. The full InChI is InChI=1S/C7H12Cl3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h6,12H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol?
(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol has a molecular weight of 232.54 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol is sourced from PubChem (CID 130693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).