4-(trifluoromethyl)oxan-4-amine

C6H10F3NO — CID 50989637

IUPAC4-(trifluoromethyl)oxan-4-amine
SMILESNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)1-3-11-4-2-5/h1-4,10H2
InChIKeyZDPKOOYOCPVXAL-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.06
Rot. Bonds

About 4-(trifluoromethyl)oxan-4-amine

4-(trifluoromethyl)oxan-4-amine (PubChem CID 50989637) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)oxan-4-amine
PubChem CID50989637
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name4-(trifluoromethyl)oxan-4-amine
SMILESNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)1-3-11-4-2-5/h1-4,10H2
InChIKeyZDPKOOYOCPVXAL-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of 4-(trifluoromethyl)oxan-4-amine (CID 50989637) is 4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for 4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for 4-(trifluoromethyl)oxan-4-amine is NC1(C(F)(F)F)CCOCC1.
What is the InChIKey of 4-(trifluoromethyl)oxan-4-amine?
The InChIKey is ZDPKOOYOCPVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(10)1-3-11-4-2-5/h1-4,10H2.
What are the key properties of 4-(trifluoromethyl)oxan-4-amine?
4-(trifluoromethyl)oxan-4-amine has a molecular weight of 169.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 50989637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).