3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride

C5H9ClF3N — CID 119031446

IUPAC3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)3-1-4(9)2-3;/h3-4H,1-2,9H2;1H
InChIKeyCSLJNSSCBKHZQN-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.71
Rot. Bonds

About 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride

3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 119031446) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
PubChem CID119031446
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)3-1-4(9)2-3;/h3-4H,1-2,9H2;1H
InChIKeyCSLJNSSCBKHZQN-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride (CID 119031446) is 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride is Cl.NC1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is CSLJNSSCBKHZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)3-1-4(9)2-3;/h3-4H,1-2,9H2;1H.
What are the key properties of 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 119031446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).