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

C5H9ClF3NO — CID 54594885

IUPAC3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H
InChIKeyQDJSEILRWZMZFQ-UHFFFAOYSA-N
MW191.58 g/mol
LogP0.69
Rot. Bonds

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

3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 54594885) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID54594885
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H
InChIKeyQDJSEILRWZMZFQ-UHFFFAOYSA-N
XLogP0.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (CID 54594885) is 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is QDJSEILRWZMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H.
What are the key properties of 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 54594885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).