3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine

C10H20F3NO — CID 66232451

IUPAC3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)CCOC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)5-7-15-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyFZOZOPFEIPXXLR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds5

About 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine

3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 66232451) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID66232451
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)CCOC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)5-7-15-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyFZOZOPFEIPXXLR-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Fluorobutoxy)-3-methylbutan-1-amine
CID 138717479
4,4,4-Trifluoro-3-(3-methylbutoxy)butan-1-amine
CID 43753301
4,4,4-Trifluoro-3-(2-methylpropoxy)butan-1-amine
CID 43753302
4,4,4-Trifluoro-3-(4-methylpentan-2-yloxy)butan-1-amine
CID 43753314
4,4,4-Trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 43753332
4,4,4-Trifluoro-3-(4-methylpentoxy)butan-1-amine
CID 43753334
4,4,4-Trifluoro-3-(2-methylbutan-2-yloxy)butan-1-amine
CID 43753335
3-Butoxy-4,4,4-trifluorobutan-1-amine
CID 43753352
4,4,4-Trifluoro-3-pentoxybutan-1-amine
CID 43753353
3,3-Dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 61634118
3,3-Dimethyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 61634301
2,2-Dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62740819

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine (CID 66232451) is 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine is CC(C)(C)CCOC(CCN)C(F)(F)F.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is FZOZOPFEIPXXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,3)5-7-15-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine?
3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 66232451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).