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

C6H11ClF3NO — CID 22911440

IUPAC[4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5-2-10-1-4(5)3-11;/h4-5,10-11H,1-3H2;1H
InChIKeyGOWTXUHBQKEZEX-UHFFFAOYSA-N
MW205.61 g/mol
LogP0.80
Rot. Bonds1

About [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride

[4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 22911440) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID22911440
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name[4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5-2-10-1-4(5)3-11;/h4-5,10-11H,1-3H2;1H
InChIKeyGOWTXUHBQKEZEX-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 22911440) is [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OCC1CNCC1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is GOWTXUHBQKEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5-2-10-1-4(5)3-11;/h4-5,10-11H,1-3H2;1H.
What are the key properties of [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride?
[4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 22911440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).