[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine

C6H10F3NO — CID 125455129

IUPAC[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine
SMILESNC[C@H]1C[C@@H](C(F)(F)F)CO1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h4-5H,1-3,10H2/t4-,5-/m1/s1
InChIKeyALFFQQPFGVFERR-RFZPGFLSSA-N
MW169.15 g/mol
LogP0.91
Rot. Bonds1

About [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine

[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine (PubChem CID 125455129) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine
PubChem CID125455129
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine
SMILESNC[C@H]1C[C@@H](C(F)(F)F)CO1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h4-5H,1-3,10H2/t4-,5-/m1/s1
InChIKeyALFFQQPFGVFERR-RFZPGFLSSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine (CID 125455129) is [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine is NC[C@H]1C[C@@H](C(F)(F)F)CO1.
What is the InChIKey of [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine?
The InChIKey is ALFFQQPFGVFERR-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h4-5H,1-3,10H2/t4-,5-/m1/s1.
What are the key properties of [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine?
[(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine has a molecular weight of 169.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(trifluoromethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 125455129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).