2-methyl-2-(trifluoromethoxy)butan-1-amine

C6H12F3NO — CID 130569951

IUPAC2-methyl-2-(trifluoromethoxy)butan-1-amine
SMILESCCC(C)(CN)OC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(2,4-10)11-6(7,8)9/h3-4,10H2,1-2H3
InChIKeyOGKPBFGLYHIQTA-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-2-(trifluoromethoxy)butan-1-amine

2-methyl-2-(trifluoromethoxy)butan-1-amine (PubChem CID 130569951) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethoxy)butan-1-amine
PubChem CID130569951
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2-methyl-2-(trifluoromethoxy)butan-1-amine
SMILESCCC(C)(CN)OC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(2,4-10)11-6(7,8)9/h3-4,10H2,1-2H3
InChIKeyOGKPBFGLYHIQTA-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethoxy)butan-1-amine?
The IUPAC name of 2-methyl-2-(trifluoromethoxy)butan-1-amine (CID 130569951) is 2-methyl-2-(trifluoromethoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(trifluoromethoxy)butan-1-amine?
The canonical SMILES for 2-methyl-2-(trifluoromethoxy)butan-1-amine is CCC(C)(CN)OC(F)(F)F.
What is the InChIKey of 2-methyl-2-(trifluoromethoxy)butan-1-amine?
The InChIKey is OGKPBFGLYHIQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-5(2,4-10)11-6(7,8)9/h3-4,10H2,1-2H3.
What are the key properties of 2-methyl-2-(trifluoromethoxy)butan-1-amine?
2-methyl-2-(trifluoromethoxy)butan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethoxy)butan-1-amine is sourced from PubChem (CID 130569951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).