5-methyl-6-(trifluoromethyl)oxan-3-amine

C7H12F3NO — CID 144979123

IUPAC5-methyl-6-(trifluoromethyl)oxan-3-amine
SMILESCC1CC(N)COC1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4-2-5(11)3-12-6(4)7(8,9)10/h4-6H,2-3,11H2,1H3
InChIKeySSBMBGIRACDMAM-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds

About 5-methyl-6-(trifluoromethyl)oxan-3-amine

5-methyl-6-(trifluoromethyl)oxan-3-amine (PubChem CID 144979123) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethyl)oxan-3-amine
PubChem CID144979123
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name5-methyl-6-(trifluoromethyl)oxan-3-amine
SMILESCC1CC(N)COC1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4-2-5(11)3-12-6(4)7(8,9)10/h4-6H,2-3,11H2,1H3
InChIKeySSBMBGIRACDMAM-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of 5-methyl-6-(trifluoromethyl)oxan-3-amine (CID 144979123) is 5-methyl-6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for 5-methyl-6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for 5-methyl-6-(trifluoromethyl)oxan-3-amine is CC1CC(N)COC1C(F)(F)F.
What is the InChIKey of 5-methyl-6-(trifluoromethyl)oxan-3-amine?
The InChIKey is SSBMBGIRACDMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4-2-5(11)3-12-6(4)7(8,9)10/h4-6H,2-3,11H2,1H3.
What are the key properties of 5-methyl-6-(trifluoromethyl)oxan-3-amine?
5-methyl-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 144979123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).