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

C19H26F6N2O2 — CID 10296170

IUPAC1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
SMILESCC(C)OC1CCCC(N(Cc2cccc(C(F)(F)F)n2)CC(O)C(F)(F)F)C1
InChIInChI=1S/C19H26F6N2O2/c1-12(2)29-15-7-4-6-14(9-15)27(11-17(28)19(23,24)25)10-13-5-3-8-16(26-13)18(20,21)22/h3,5,8,12,14-15,17,28H,4,6-7,9-11H2,1-2H3
InChIKeyRJDVALBXMGTSPA-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.56
Rot. Bonds7

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

1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol (PubChem CID 10296170) has the molecular formula C19H26F6N2O2 and a molecular weight of 428.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
PubChem CID10296170
Molecular FormulaC19H26F6N2O2
Molecular Weight428.42 g/mol
Exact Mass428.19
IUPAC Name1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
SMILESCC(C)OC1CCCC(N(Cc2cccc(C(F)(F)F)n2)CC(O)C(F)(F)F)C1
InChIInChI=1S/C19H26F6N2O2/c1-12(2)29-15-7-4-6-14(9-15)27(11-17(28)19(23,24)25)10-13-5-3-8-16(26-13)18(20,21)22/h3,5,8,12,14-15,17,28H,4,6-7,9-11H2,1-2H3
InChIKeyRJDVALBXMGTSPA-UHFFFAOYSA-N
XLogP4.56
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.56
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-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol (CID 10296170) is 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol is CC(C)OC1CCCC(N(Cc2cccc(C(F)(F)F)n2)CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
The InChIKey is RJDVALBXMGTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F6N2O2/c1-12(2)29-15-7-4-6-14(9-15)27(11-17(28)19(23,24)25)10-13-5-3-8-16(26-13)18(20,21)22/h3,5,8,12,14-15,17,28H,4,6-7,9-11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol has a molecular weight of 428.42 g/mol, XLogP of 4.56, 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-propan-2-yloxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 10296170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).