(2S,4S)-2-(trifluoromethyl)oxan-4-amine

C6H10F3NO — CID 82652984

IUPAC(2S,4S)-2-(trifluoromethyl)oxan-4-amine
SMILESN[C@H]1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5H,1-3,10H2/t4-,5-/m0/s1
InChIKeyXGTXXWPCMBJBCB-WHFBIAKZSA-N
MW169.15 g/mol
LogP1.05
Rot. Bonds

About (2S,4S)-2-(trifluoromethyl)oxan-4-amine

(2S,4S)-2-(trifluoromethyl)oxan-4-amine (PubChem CID 82652984) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (2S,4S)-2-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name(2S,4S)-2-(trifluoromethyl)oxan-4-amine
PubChem CID82652984
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(2S,4S)-2-(trifluoromethyl)oxan-4-amine
SMILESN[C@H]1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5H,1-3,10H2/t4-,5-/m0/s1
InChIKeyXGTXXWPCMBJBCB-WHFBIAKZSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(trifluoromethyl)oxan-4-amine?
The IUPAC name of (2S,4S)-2-(trifluoromethyl)oxan-4-amine (CID 82652984) is (2S,4S)-2-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for (2S,4S)-2-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for (2S,4S)-2-(trifluoromethyl)oxan-4-amine is N[C@H]1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S,4S)-2-(trifluoromethyl)oxan-4-amine?
The InChIKey is XGTXXWPCMBJBCB-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5-3-4(10)1-2-11-5/h4-5H,1-3,10H2/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-2-(trifluoromethyl)oxan-4-amine?
(2S,4S)-2-(trifluoromethyl)oxan-4-amine has a molecular weight of 169.15 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 82652984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).