1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol

C22H24F6N2O2 — CID 10276450

IUPAC1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)n1)C1CCCC(Oc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C22H24F6N2O2/c23-21(24,25)19-11-4-6-15(29-19)13-30(14-20(31)22(26,27)28)16-7-5-10-18(12-16)32-17-8-2-1-3-9-17/h1-4,6,8-9,11,16,18,20,31H,5,7,10,12-14H2
InChIKeyOXKKNXPSMDIOQN-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.22
Rot. Bonds7

About 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol

1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol (PubChem CID 10276450) has the molecular formula C22H24F6N2O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
PubChem CID10276450
Molecular FormulaC22H24F6N2O2
Molecular Weight462.43 g/mol
Exact Mass462.17
IUPAC Name1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)n1)C1CCCC(Oc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C22H24F6N2O2/c23-21(24,25)19-11-4-6-15(29-19)13-30(14-20(31)22(26,27)28)16-7-5-10-18(12-16)32-17-8-2-1-3-9-17/h1-4,6,8-9,11,16,18,20,31H,5,7,10,12-14H2
InChIKeyOXKKNXPSMDIOQN-UHFFFAOYSA-N
XLogP5.22
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol (CID 10276450) is 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol is OC(CN(Cc1cccc(C(F)(F)F)n1)C1CCCC(Oc2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The InChIKey is OXKKNXPSMDIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6N2O2/c23-21(24,25)19-11-4-6-15(29-19)13-30(14-20(31)22(26,27)28)16-7-5-10-18(12-16)32-17-8-2-1-3-9-17/h1-4,6,8-9,11,16,18,20,31H,5,7,10,12-14H2.
What are the key properties of 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol has a molecular weight of 462.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 10276450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).