4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C16H30F3NO — CID 63487884

IUPAC4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-5-8-20(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)21/h12-14,21H,5-11H2,1-4H3
InChIKeyXIBIHGRTQHLNEL-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.08
Rot. Bonds5

About 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 63487884) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID63487884
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-5-8-20(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)21/h12-14,21H,5-11H2,1-4H3
InChIKeyXIBIHGRTQHLNEL-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 63487884) is 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XIBIHGRTQHLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-5-8-20(11-16(17,18)19)10-12-9-13(15(2,3)4)6-7-14(12)21/h12-14,21H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 309.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63487884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).