1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine

C8H14F3NO — CID 58629035

IUPAC1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyQBIRCSPQXFXQSI-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine

1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine (PubChem CID 58629035) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine
PubChem CID58629035
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1COCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyQBIRCSPQXFXQSI-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine (CID 58629035) is 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine is CC(N)C1CC1COCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine?
The InChIKey is QBIRCSPQXFXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h5-7H,2-4,12H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine?
1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 58629035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).