2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine

C7H12F3N — CID 60997761

IUPAC2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCC1CC1CNCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5-2-6(5)3-11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyJIHBKGLPODJRRT-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.79
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 60997761) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine
PubChem CID60997761
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCC1CC1CNCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-5-2-6(5)3-11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyJIHBKGLPODJRRT-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine (CID 60997761) is 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine is CC1CC1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is JIHBKGLPODJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-2-6(5)3-11-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 167.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 60997761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).