2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride

C6H9ClF3NO — CID 167529497

IUPAC2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)5(1-2-5)3-4(10)11;/h1-3H2,(H2,10,11);1H
InChIKeyKCELOBVOZXANDH-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.63
Rot. Bonds2

About 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride

2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride (PubChem CID 167529497) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride
PubChem CID167529497
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)5(1-2-5)3-4(10)11;/h1-3H2,(H2,10,11);1H
InChIKeyKCELOBVOZXANDH-UHFFFAOYSA-N
XLogP1.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride (CID 167529497) is 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride is Cl.NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride?
The InChIKey is KCELOBVOZXANDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.ClH/c7-6(8,9)5(1-2-5)3-4(10)11;/h1-3H2,(H2,10,11);1H.
What are the key properties of 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride?
2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropyl]acetamide;hydrochloride is sourced from PubChem (CID 167529497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).