2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine

C7H14F3NO — CID 82711095

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)CNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2)4-11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyVWSACVAWOPNQQM-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine

2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 82711095) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID82711095
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)CNOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-6(2)4-11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyVWSACVAWOPNQQM-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.12
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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Related Compounds

N-(2,2,2-trifluoroethoxy)ethanamine
CID 57680059
N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710871
N-(4,4,4-trifluorobutoxy)ethanamine
CID 118335918
2,2,2-trifluoro-N-propoxyethanamine
CID 130705391
2,2,3-trifluoro-N-methoxy-3-methylbutan-1-amine
CID 20979432
N-ethoxy-2,2-difluoroethanamine
CID 64116793
N-ethoxy-3,3,3-trifluoropropan-1-amine
CID 64974191
3-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine
CID 82710631
4-methyl-N-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 82710666
3-methyl-N-(2,2,2-trifluoroethoxy)butan-2-amine
CID 82710792
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710901
3-methyl-N-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 82711115

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine (CID 82711095) is 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(C)CNOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is VWSACVAWOPNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-6(2)4-11-12-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine?
2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 82711095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).