3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine

C8H16F3NO — CID 82711353

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(C)CCNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)4-5-12-13-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeySXMDMKJOGYAHGV-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.51
Rot. Bonds4

About 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine

3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 82711353) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID82711353
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(C)CCNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)4-5-12-13-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeySXMDMKJOGYAHGV-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine (CID 82711353) is 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)(C)CCNOCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is SXMDMKJOGYAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)4-5-12-13-6-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 82711353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).