4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

C10H18F3NO2 — CID 63220228

IUPAC4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESNC1(CCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-5-1-2-9(14)3-6-15-7-4-9/h1-8,14H2
InChIKeyAKDFDNXYHJYXNE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds5

About 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (PubChem CID 63220228) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
PubChem CID63220228
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESNC1(CCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-5-1-2-9(14)3-6-15-7-4-9/h1-8,14H2
InChIKeyAKDFDNXYHJYXNE-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-Methyl-4-(trifluoromethyl)oxan-4-amine
CID 64137255
2,2-Dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 64137256
3-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 65019852
4-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 65020198
4-(Difluoromethyl)-2-methyloxan-4-amine
CID 80604189
4-(Difluoromethyl)-2,2-dimethyloxan-4-amine
CID 80604548
2,6-Dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 81853140
4-(Difluoromethyl)-2,6-dimethyloxan-4-amine
CID 81853191
1-(Oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148118
3-(2,2-Difluoroethoxy)-1-(oxan-4-yl)propan-1-amine
CID 103149014

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (CID 63220228) is 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is NC1(CCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The InChIKey is AKDFDNXYHJYXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-5-1-2-9(14)3-6-15-7-4-9/h1-8,14H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is sourced from PubChem (CID 63220228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).