N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine

C10H18F3NO — CID 63935674

IUPACN-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-9(7-10(11,12)13)8-3-5-15-6-4-8/h8-9,14H,2-7H2,1H3
InChIKeyXLZHSCMNQKZUEG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine (PubChem CID 63935674) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
PubChem CID63935674
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-9(7-10(11,12)13)8-3-5-15-6-4-8/h8-9,14H,2-7H2,1H3
InChIKeyXLZHSCMNQKZUEG-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluorocyclobutyl)-3-methyloxan-4-amine
CID 128190630
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
CID 61269934
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-1-amine
CID 146329042
N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
CID 146534819
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[(4-fluorooxan-4-yl)methyl]propan-2-amine
CID 149234668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine (CID 63935674) is N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine is CCNC(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The InChIKey is XLZHSCMNQKZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-9(7-10(11,12)13)8-3-5-15-6-4-8/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 63935674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).