3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine

C10H20F3NO — CID 82787712

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

About 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine

3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine (PubChem CID 82787712) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine
PubChem CID82787712
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine
SMILESCC(C)(C)C(N)COCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,3)8(14)7-15-6-4-5-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyAZINROPAXDEBOF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine (CID 82787712) is 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine is CC(C)(C)C(N)COCCCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine?
The InChIKey is AZINROPAXDEBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,3)8(14)7-15-6-4-5-10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine?
3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-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-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine is sourced from PubChem (CID 82787712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).