(3-fluoropyrrolidin-3-yl)methanol;hydrochloride

C5H11ClFNO — CID 112756484

IUPAC(3-fluoropyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1(F)CCNC1
InChIInChI=1S/C5H10FNO.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4H2;1H
InChIKeyRTWCLQSSUKTHBX-UHFFFAOYSA-N
MW155.60 g/mol
LogP0.10
Rot. Bonds1

About (3-fluoropyrrolidin-3-yl)methanol;hydrochloride

(3-fluoropyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 112756484) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is (3-fluoropyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-fluoropyrrolidin-3-yl)methanol;hydrochloride
PubChem CID112756484
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name(3-fluoropyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1(F)CCNC1
InChIInChI=1S/C5H10FNO.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4H2;1H
InChIKeyRTWCLQSSUKTHBX-UHFFFAOYSA-N
XLogP0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (3-fluoropyrrolidin-3-yl)methanol;hydrochloride (CID 112756484) is (3-fluoropyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-fluoropyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-fluoropyrrolidin-3-yl)methanol;hydrochloride is Cl.OCC1(F)CCNC1.
What is the InChIKey of (3-fluoropyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is RTWCLQSSUKTHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4H2;1H.
What are the key properties of (3-fluoropyrrolidin-3-yl)methanol;hydrochloride?
(3-fluoropyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 112756484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).