2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C8H16F3NO — CID 62740819

IUPAC2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(CN)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,5-12)3-4-13-6-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyHHOSJMQEAKFCBL-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds5

About 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62740819) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62740819
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)(CN)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,5-12)3-4-13-6-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyHHOSJMQEAKFCBL-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.94
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 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62740819) is 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)(CN)CCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is HHOSJMQEAKFCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,5-12)3-4-13-6-8(9,10)11/h3-6,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62740819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).