4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine

C10H18F3NO2 — CID 62382403

IUPAC4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine
SMILESCC(N)C(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(14)9(10(11,12)13)16-6-8-2-4-15-5-3-8/h7-9H,2-6,14H2,1H3
InChIKeyMCHPJSZBYVINBS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds4

About 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine

4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine (PubChem CID 62382403) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine
PubChem CID62382403
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine
SMILESCC(N)C(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(14)9(10(11,12)13)16-6-8-2-4-15-5-3-8/h7-9H,2-6,14H2,1H3
InChIKeyMCHPJSZBYVINBS-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 164604612
CID 164604612
CID 55092895
CID 55092895
CID 61647685
CID 61647685
CID 61647944
CID 61647944
CID 61647945
CID 61647945
CID 61647951
CID 61647951
CID 61648004
CID 61648004
CID 61648374
CID 61648374
CID 61648375
CID 61648375
CID 61648384
CID 61648384
CID 61648385
CID 61648385
CID 61648430
CID 61648430

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine (CID 62382403) is 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine is CC(N)C(OCC1CCOCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine?
The InChIKey is MCHPJSZBYVINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(14)9(10(11,12)13)16-6-8-2-4-15-5-3-8/h7-9H,2-6,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine?
4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine is sourced from PubChem (CID 62382403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).