3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine

C8H14F3NO — CID 84733442

IUPAC3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCCC(N)C1
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h6H,2-5,12H2,1H3
InChIKeyWYHASKYRCNHTBV-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine

3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 84733442) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID84733442
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCCC(N)C1
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h6H,2-5,12H2,1H3
InChIKeyWYHASKYRCNHTBV-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine (CID 84733442) is 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine is COC1(C(F)(F)F)CCCC(N)C1.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WYHASKYRCNHTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-2-3-6(12)5-7/h6H,2-5,12H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine?
3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 84733442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).