[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride

C6H11ClF3NO — CID 53414538

IUPAC[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(4-11)1-2-10-3-5;/h10-11H,1-4H2;1H
InChIKeyPOJFMULJUUFWPK-UHFFFAOYSA-N
MW205.61 g/mol
LogP0.94
Rot. Bonds1

About [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride

[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 53414538) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID53414538
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(4-11)1-2-10-3-5;/h10-11H,1-4H2;1H
InChIKeyPOJFMULJUUFWPK-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 53414538) is [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OCC1(C(F)(F)F)CCNC1.
What is the InChIKey of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is POJFMULJUUFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(4-11)1-2-10-3-5;/h10-11H,1-4H2;1H.
What are the key properties of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
[3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 53414538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).