6-(trifluoromethyl)oxan-3-amine

C6H10F3NO — CID 144979063

IUPAC6-(trifluoromethyl)oxan-3-amine
SMILESNC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-2-1-4(10)3-11-5/h4-5H,1-3,10H2
InChIKeyCELVVBNSYAQPEL-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.05
Rot. Bonds

About 6-(trifluoromethyl)oxan-3-amine

6-(trifluoromethyl)oxan-3-amine (PubChem CID 144979063) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)oxan-3-amine
PubChem CID144979063
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name6-(trifluoromethyl)oxan-3-amine
SMILESNC1CCC(C(F)(F)F)OC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-2-1-4(10)3-11-5/h4-5H,1-3,10H2
InChIKeyCELVVBNSYAQPEL-UHFFFAOYSA-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 6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of 6-(trifluoromethyl)oxan-3-amine (CID 144979063) is 6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for 6-(trifluoromethyl)oxan-3-amine is NC1CCC(C(F)(F)F)OC1.
What is the InChIKey of 6-(trifluoromethyl)oxan-3-amine?
The InChIKey is CELVVBNSYAQPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5-2-1-4(10)3-11-5/h4-5H,1-3,10H2.
What are the key properties of 6-(trifluoromethyl)oxan-3-amine?
6-(trifluoromethyl)oxan-3-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 6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 144979063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).