4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine

Name: 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₆F₃NO — CID 43753332

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine

SMILESCC(C)(C)OC(CCN)C(F)(F)F

InChIInChI=1S/C8H16F3NO/c1-7(2,3)13-6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3

InChIKeyJMWABEFLEFWDDW-UHFFFAOYSA-N

MW199.22 g/mol

LogP2.08

Rot. Bonds3

About 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine

4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 43753332) has the molecular formula C₈H₁₆F₃NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name	4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID	43753332
Molecular Formula	C₈H₁₆F₃NO
Molecular Weight	199.22 g/mol
Exact Mass	199.12
IUPAC Name	4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILES	CC(C)(C)OC(CCN)C(F)(F)F
InChI	InChI=1S/C8H16F3NO/c1-7(2,3)13-6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKey	JMWABEFLEFWDDW-UHFFFAOYSA-N
XLogP	2.08
TPSA	35.25 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.22
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine?

The IUPAC name of 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 43753332) is 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine.

What is the SMILES notation for 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine?

The canonical SMILES for 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine is CC(C)(C)OC(CCN)C(F)(F)F.

What is the InChIKey of 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine?

The InChIKey is JMWABEFLEFWDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)13-6(4-5-12)8(9,10)11/h6H,4-5,12H2,1-3H3.

What are the key properties of 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine?

4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 43753332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 43753332 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.