3-(difluoromethyl)azetidin-3-ol;hydrochloride

C4H8ClF2NO — CID 119081657

IUPAC3-(difluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)F)CNC1
InChIInChI=1S/C4H7F2NO.ClH/c5-3(6)4(8)1-7-2-4;/h3,7-8H,1-2H2;1H
InChIKeyKTLJRGPLRYLICZ-UHFFFAOYSA-N
MW159.56 g/mol
LogP0.01
Rot. Bonds1

About 3-(difluoromethyl)azetidin-3-ol;hydrochloride

3-(difluoromethyl)azetidin-3-ol;hydrochloride (PubChem CID 119081657) has the molecular formula C4H8ClF2NO and a molecular weight of 159.56 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)azetidin-3-ol;hydrochloride
PubChem CID119081657
Molecular FormulaC4H8ClF2NO
Molecular Weight159.56 g/mol
Exact Mass159.03
IUPAC Name3-(difluoromethyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(C(F)F)CNC1
InChIInChI=1S/C4H7F2NO.ClH/c5-3(6)4(8)1-7-2-4;/h3,7-8H,1-2H2;1H
InChIKeyKTLJRGPLRYLICZ-UHFFFAOYSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.56
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidin-3-ol;hydrochloride?
The IUPAC name of 3-(difluoromethyl)azetidin-3-ol;hydrochloride (CID 119081657) is 3-(difluoromethyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)azetidin-3-ol;hydrochloride is Cl.OC1(C(F)F)CNC1.
What is the InChIKey of 3-(difluoromethyl)azetidin-3-ol;hydrochloride?
The InChIKey is KTLJRGPLRYLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO.ClH/c5-3(6)4(8)1-7-2-4;/h3,7-8H,1-2H2;1H.
What are the key properties of 3-(difluoromethyl)azetidin-3-ol;hydrochloride?
3-(difluoromethyl)azetidin-3-ol;hydrochloride has a molecular weight of 159.56 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidin-3-ol;hydrochloride is sourced from PubChem (CID 119081657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).