2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine

C8H14F3NO — CID 103150687

IUPAC2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
SMILESCC1CC1(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-4-7(6,12)2-3-13-5-8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyZSXKSFZXUBFLHR-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine

2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine (PubChem CID 103150687) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
PubChem CID103150687
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
SMILESCC1CC1(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-4-7(6,12)2-3-13-5-8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyZSXKSFZXUBFLHR-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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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Related Compounds

3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62621094
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62622205
3-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 65019805
3-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 65019852
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopropan-1-amine
CID 66026866
1-Cyclopropyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 103148878
1-[2-(2,2-Difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine
CID 103150686
1-[2-(2,2-Difluoroethoxy)ethyl]-2-ethylcyclopropan-1-amine
CID 103150688
2-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
CID 103150689
1-[2-(2,2-Difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine
CID 103150690
2-Propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
CID 103150691
2-Ethyl-1-(2,2,2-trifluoroethoxymethyl)cyclopropan-1-amine
CID 103476530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine (CID 103150687) is 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine is CC1CC1(N)CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
The InChIKey is ZSXKSFZXUBFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-4-7(6,12)2-3-13-5-8(9,10)11/h6H,2-5,12H2,1H3.
What are the key properties of 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine?
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 103150687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).