(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine

C9H13F6NO — CID 28820422

IUPAC(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](C(F)(F)F)CC[C@@H]1OCC(F)(F)F
InChIInChI=1S/C9H13F6NO/c10-8(11,12)4-17-7-2-1-5(3-6(7)16)9(13,14)15/h5-7H,1-4,16H2/t5-,6+,7-/m0/s1
InChIKeyXKHVFYVCXRSAJR-XVMARJQXSA-N
MW265.20 g/mol
LogP2.62
Rot. Bonds2

About (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine

(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 28820422) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
PubChem CID28820422
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](C(F)(F)F)CC[C@@H]1OCC(F)(F)F
InChIInChI=1S/C9H13F6NO/c10-8(11,12)4-17-7-2-1-5(3-6(7)16)9(13,14)15/h5-7H,1-4,16H2/t5-,6+,7-/m0/s1
InChIKeyXKHVFYVCXRSAJR-XVMARJQXSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine (CID 28820422) is (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine is N[C@@H]1C[C@@H](C(F)(F)F)CC[C@@H]1OCC(F)(F)F.
What is the InChIKey of (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XKHVFYVCXRSAJR-XVMARJQXSA-N. The full InChI is InChI=1S/C9H13F6NO/c10-8(11,12)4-17-7-2-1-5(3-6(7)16)9(13,14)15/h5-7H,1-4,16H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine?
(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 28820422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).