(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine

C6H12F3NO — CID 146160519

IUPAC(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
SMILESCC(C)[C@@H](N)COC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)5(10)3-11-6(7,8)9/h4-5H,3,10H2,1-2H3/t5-/m0/s1
InChIKeyUETNIYQDDSCVPI-YFKPBYRVSA-N
MW171.16 g/mol
LogP1.51
Rot. Bonds3

About (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine

(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine (PubChem CID 146160519) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
PubChem CID146160519
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
SMILESCC(C)[C@@H](N)COC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)5(10)3-11-6(7,8)9/h4-5H,3,10H2,1-2H3/t5-/m0/s1
InChIKeyUETNIYQDDSCVPI-YFKPBYRVSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine?
The IUPAC name of (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine (CID 146160519) is (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine?
The canonical SMILES for (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine is CC(C)[C@@H](N)COC(F)(F)F.
What is the InChIKey of (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine?
The InChIKey is UETNIYQDDSCVPI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-4(2)5(10)3-11-6(7,8)9/h4-5H,3,10H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine?
(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine has a molecular weight of 171.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine is sourced from PubChem (CID 146160519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).