(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride

C5H10ClF2NO — CID 84717503

IUPAC(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-4(5)2-9;/h4,8-9H,1-3H2;1H
InChIKeyWGUXKKGASLEFCW-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.26
Rot. Bonds1

About (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride

(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 84717503) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride
PubChem CID84717503
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-4(5)2-9;/h4,8-9H,1-3H2;1H
InChIKeyWGUXKKGASLEFCW-UHFFFAOYSA-N
XLogP0.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride (CID 84717503) is (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride is Cl.OCC1CNCC1(F)F.
What is the InChIKey of (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is WGUXKKGASLEFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-4(5)2-9;/h4,8-9H,1-3H2;1H.
What are the key properties of (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride?
(4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 84717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).