1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride

C6H11ClF3N — CID 154857202

IUPAC1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride
SMILESCNC(C1CC1)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-10-5(4-2-3-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H
InChIKeyIHOJFCZHGWPYMZ-UHFFFAOYSA-N
MW189.61 g/mol
LogP1.97
Rot. Bonds2

About 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride

1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride (PubChem CID 154857202) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride
PubChem CID154857202
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride
SMILESCNC(C1CC1)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-10-5(4-2-3-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H
InChIKeyIHOJFCZHGWPYMZ-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride (CID 154857202) is 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride is CNC(C1CC1)C(F)(F)F.Cl.
What is the InChIKey of 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
The InChIKey is IHOJFCZHGWPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c1-10-5(4-2-3-4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H.
What are the key properties of 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride?
1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2,2-trifluoro-N-methylethanamine;hydrochloride is sourced from PubChem (CID 154857202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).