[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine

C8H14F3NO — CID 66026854

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-3-7(5-12)1-2-7/h1-6,12H2
InChIKeyVIBWEVFUYVPCBJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine

[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine (PubChem CID 66026854) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine
PubChem CID66026854
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-3-7(5-12)1-2-7/h1-6,12H2
InChIKeyVIBWEVFUYVPCBJ-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine (CID 66026854) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine is NCC1(CCOCC(F)(F)F)CC1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine?
The InChIKey is VIBWEVFUYVPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-3-7(5-12)1-2-7/h1-6,12H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 5 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-trifluoroethoxy)ethyl]cyclopropyl]methanamine is sourced from PubChem (CID 66026854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).