(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine

C6H12F3N — CID 88866203

IUPAC(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC[C@@H](C)N(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4-5(2)10(3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyMRBVVJNOVJVLPT-RXMQYKEDSA-N
MW155.16 g/mol
LogP2.24
Rot. Bonds2

About (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine

(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine (PubChem CID 88866203) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine
PubChem CID88866203
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine
SMILESCC[C@@H](C)N(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4-5(2)10(3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyMRBVVJNOVJVLPT-RXMQYKEDSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The IUPAC name of (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine (CID 88866203) is (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The canonical SMILES for (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine is CC[C@@H](C)N(C)C(F)(F)F.
What is the InChIKey of (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine?
The InChIKey is MRBVVJNOVJVLPT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F3N/c1-4-5(2)10(3)6(7,8)9/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine?
(2R)-N-methyl-N-(trifluoromethyl)butan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 88866203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).