3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride

C5H9Cl4NO — CID 154577165

IUPAC3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(C(Cl)(Cl)Cl)CCNC1
InChIInChI=1S/C5H8Cl3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H
InChIKeyZZSUKYWPLXWPEC-UHFFFAOYSA-N
MW240.94 g/mol
LogP1.50
Rot. Bonds

About 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride

3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 154577165) has the molecular formula C5H9Cl4NO and a molecular weight of 240.94 g/mol. Its IUPAC name is 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID154577165
Molecular FormulaC5H9Cl4NO
Molecular Weight240.94 g/mol
Exact Mass238.94
IUPAC Name3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(C(Cl)(Cl)Cl)CCNC1
InChIInChI=1S/C5H8Cl3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H
InChIKeyZZSUKYWPLXWPEC-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.94
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
CID 79130079
methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
CID 131412933
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 86277019
3-cyclohexylpyrrolidin-3-ol;hydrochloride
CID 3051561
4-tert-butylazepan-4-ol
CID 55296564
4-(1-amino-2-methylpropan-2-yl)piperidin-4-ol
CID 79136037
3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 105443984

Frequently Asked Questions

What is the IUPAC name of 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride (CID 154577165) is 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1(C(Cl)(Cl)Cl)CCNC1.
What is the InChIKey of 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is ZZSUKYWPLXWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H.
What are the key properties of 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride?
3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 240.94 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 154577165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).