N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride

C5H8ClF3N2O — CID 19423639

IUPACN-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC1CNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)4(11)10-3-1-9-2-3;/h3,9H,1-2H2,(H,10,11);1H
InChIKeyHVPRNFJOJFQOMZ-UHFFFAOYSA-N
MW204.58 g/mol
LogP0.06
Rot. Bonds1

About N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride

N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 19423639) has the molecular formula C5H8ClF3N2O and a molecular weight of 204.58 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID19423639
Molecular FormulaC5H8ClF3N2O
Molecular Weight204.58 g/mol
Exact Mass204.03
IUPAC NameN-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC1CNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)4(11)10-3-1-9-2-3;/h3,9H,1-2H2,(H,10,11);1H
InChIKeyHVPRNFJOJFQOMZ-UHFFFAOYSA-N
XLogP0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride (CID 19423639) is N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(NC1CNC1)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is HVPRNFJOJFQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O.ClH/c6-5(7,8)4(11)10-3-1-9-2-3;/h3,9H,1-2H2,(H,10,11);1H.
What are the key properties of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 204.58 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 19423639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).