(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine

C6H12F3NO — CID 59504972

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
SMILESCO[C@H](CN(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10(2)4-5(11-3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyBETAUWPTWIYHLP-RXMQYKEDSA-N
MW171.16 g/mol
LogP1.13
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine

(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine (PubChem CID 59504972) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
PubChem CID59504972
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
SMILESCO[C@H](CN(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10(2)4-5(11-3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyBETAUWPTWIYHLP-RXMQYKEDSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine (CID 59504972) is (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine is CO[C@H](CN(C)C)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine?
The InChIKey is BETAUWPTWIYHLP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-10(2)4-5(11-3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine?
(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59504972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).