3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride

C6H9ClF3NO2 — CID 155820000

IUPAC3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-3(10)2-5;/h3H,1-2,10H2,(H,11,12);1H
InChIKeyFUOLTJNMTDUPOF-UHFFFAOYSA-N
MW219.59 g/mol
LogP1.16
Rot. Bonds1

About 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride

3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 155820000) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID155820000
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Name3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-3(10)2-5;/h3H,1-2,10H2,(H,11,12);1H
InChIKeyFUOLTJNMTDUPOF-UHFFFAOYSA-N
XLogP1.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride (CID 155820000) is 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride is Cl.NC1CC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is FUOLTJNMTDUPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-3(10)2-5;/h3H,1-2,10H2,(H,11,12);1H.
What are the key properties of 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 219.59 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155820000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).