2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride

C6H11ClF3NO — CID 90204416

IUPAC2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride
SMILESCl.OC(C1CCNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(11)4-1-2-10-3-4;/h4-5,10-11H,1-3H2;1H
InChIKeyCZJZHAQYJZVJSZ-UHFFFAOYSA-N
MW205.61 g/mol
LogP0.94
Rot. Bonds1

About 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride

2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride (PubChem CID 90204416) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride
PubChem CID90204416
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride
SMILESCl.OC(C1CCNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(11)4-1-2-10-3-4;/h4-5,10-11H,1-3H2;1H
InChIKeyCZJZHAQYJZVJSZ-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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride (CID 90204416) is 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride is Cl.OC(C1CCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride?
The InChIKey is CZJZHAQYJZVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(11)4-1-2-10-3-4;/h4-5,10-11H,1-3H2;1H.
What are the key properties of 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride?
2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;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 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride is sourced from PubChem (CID 90204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).