trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol

C13H16F3NO — CID 11172972

IUPACtrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h5-8,11-12,17-18H,1-4H2/t11-,12-/m1/s1
InChIKeyQMYXMYJQMUSSAT-VXGBXAGGSA-N
MW259.27 g/mol
LogP3.42
Rot. Bonds2

About trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol

trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 11172972) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID11172972
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Nametrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h5-8,11-12,17-18H,1-4H2/t11-,12-/m1/s1
InChIKeyQMYXMYJQMUSSAT-VXGBXAGGSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 11172972) is trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is QMYXMYJQMUSSAT-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h5-8,11-12,17-18H,1-4H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 259.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 11172972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).