3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C13H24F3NO — CID 165490683

IUPAC3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-5-17(12(2,3)4)11-8-9(18)6-7-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3
InChIKeyXHQYKISUBVCKPP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds2

About 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490683) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490683
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-5-17(12(2,3)4)11-8-9(18)6-7-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3
InChIKeyXHQYKISUBVCKPP-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490683) is 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XHQYKISUBVCKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-17(12(2,3)4)11-8-9(18)6-7-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).