trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine

C7H12F3NO — CID 146155209

IUPACtrans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1OC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKeyWEFFRKRKZNBSLO-PHDIDXHHSA-N
MW183.17 g/mol
LogP1.79
Rot. Bonds1

About trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine

trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine (PubChem CID 146155209) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine
PubChem CID146155209
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Nametrans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1OC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKeyWEFFRKRKZNBSLO-PHDIDXHHSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine (CID 146155209) is trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1OC(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine?
The InChIKey is WEFFRKRKZNBSLO-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine?
trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 146155209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).