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

C7H14F3NO — CID 62505182

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(CN)CCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(4-11)2-3-12-5-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyGCLJJAZQPGQOSM-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds5

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

2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62505182) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62505182
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(CN)CCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(4-11)2-3-12-5-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyGCLJJAZQPGQOSM-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 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 ≤ 51.55
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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Related Compounds

4-Methoxy-2-methylbutan-1-amine
CID 58388303
(4,4-Difluorotetrahydrofuran-3-YL)methanamine hydrochloride
CID 126844441
4-(Trifluoromethoxy)butan-1-amine
CID 75406291
3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
4-Ethoxy-2,2-difluorobutan-1-amine
CID 163250603
3-(Trifluoromethyl)oxolan-2-amine
CID 170752739
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
4-(2,2,2-Trifluoroethoxy)butan-1-amine
CID 20115727
4-(2,2,3,3-Tetrafluoropropoxy)butan-1-amine
CID 33785354
2-Methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 43175045
4,4,4-Trifluoro-3-(3-methylbutoxy)butan-1-amine
CID 43753301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62505182) is 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(CN)CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is GCLJJAZQPGQOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(4-11)2-3-12-5-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62505182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).