2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C15H26F3NO — CID 62704171

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H26F3NO/c1-10(2)11-3-6-14(20)12(7-11)8-19(13-4-5-13)9-15(16,17)18/h10-14,20H,3-9H2,1-2H3
InChIKeyXYNPNHFNGSUDNA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.45
Rot. Bonds5

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704171) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704171
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H26F3NO/c1-10(2)11-3-6-14(20)12(7-11)8-19(13-4-5-13)9-15(16,17)18/h10-14,20H,3-9H2,1-2H3
InChIKeyXYNPNHFNGSUDNA-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62704171) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is XYNPNHFNGSUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-10(2)11-3-6-14(20)12(7-11)8-19(13-4-5-13)9-15(16,17)18/h10-14,20H,3-9H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).