trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol

C12H16FNO — CID 46187197

IUPACtrans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccccc1F
InChIInChI=1S/C12H16FNO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-6,11-12,14-15H,3-4,7-8H2/t11-,12-/m0/s1
InChIKeyWLDHLGFCYYEZEO-RYUDHWBXSA-N
MW209.26 g/mol
LogP2.54
Rot. Bonds2

About trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol (PubChem CID 46187197) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol
PubChem CID46187197
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Nametrans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccccc1F
InChIInChI=1S/C12H16FNO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-6,11-12,14-15H,3-4,7-8H2/t11-,12-/m0/s1
InChIKeyWLDHLGFCYYEZEO-RYUDHWBXSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol (CID 46187197) is trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1ccccc1F.
What is the InChIKey of trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol?
The InChIKey is WLDHLGFCYYEZEO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16FNO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-6,11-12,14-15H,3-4,7-8H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 46187197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).