1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride

C6H11ClF3N — CID 91926637

IUPAC1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
SMILESCC(N)C1(C(F)(F)F)CC1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-4(10)5(2-3-5)6(7,8)9;/h4H,2-3,10H2,1H3;1H
InChIKeyIYZFQNJTZGATBD-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.10
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride

1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride (PubChem CID 91926637) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
PubChem CID91926637
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
SMILESCC(N)C1(C(F)(F)F)CC1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-4(10)5(2-3-5)6(7,8)9;/h4H,2-3,10H2,1H3;1H
InChIKeyIYZFQNJTZGATBD-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride (CID 91926637) is 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride is CC(N)C1(C(F)(F)F)CC1.Cl.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The InChIKey is IYZFQNJTZGATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c1-4(10)5(2-3-5)6(7,8)9;/h4H,2-3,10H2,1H3;1H.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride is sourced from PubChem (CID 91926637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).