N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine

C7H12F3N — CID 68969284

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c1-2-11(6-3-4-6)5-7(8,9)10/h6H,2-5H2,1H3
InChIKeySMRMWKMZBSGTAG-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 68969284) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID68969284
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c1-2-11(6-3-4-6)5-7(8,9)10/h6H,2-5H2,1H3
InChIKeySMRMWKMZBSGTAG-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 68969284) is N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is SMRMWKMZBSGTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-2-11(6-3-4-6)5-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 68969284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).