[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C9H16F3NO — CID 93044802

IUPAC[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@H]1OCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13/h7-8H,1-6,13H2/t7-,8+/m0/s1
InChIKeyNGVIRIIQGBINNV-JGVFFNPUSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds3

About [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 93044802) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID93044802
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@H]1OCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13/h7-8H,1-6,13H2/t7-,8+/m0/s1
InChIKeyNGVIRIIQGBINNV-JGVFFNPUSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 93044802) is [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is NC[C@@H]1CCCC[C@H]1OCC(F)(F)F.
What is the InChIKey of [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is NGVIRIIQGBINNV-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-14-8-4-2-1-3-7(8)5-13/h7-8H,1-6,13H2/t7-,8+/m0/s1.
What are the key properties of [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 93044802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).