4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

C14H26F3NO — CID 165498179

IUPAC4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCN(CC(F)(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-5-18(9-14(15,16)17)12-8-10(19)6-7-11(12)13(2,3)4/h10-12,19H,5-9H2,1-4H3
InChIKeyNBOSJMZRBJOFSH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds3

About 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 165498179) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID165498179
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCN(CC(F)(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-5-18(9-14(15,16)17)12-8-10(19)6-7-11(12)13(2,3)4/h10-12,19H,5-9H2,1-4H3
InChIKeyNBOSJMZRBJOFSH-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311
3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618988
2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol
CID 63470757
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 165498179) is 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is CCN(CC(F)(F)F)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is NBOSJMZRBJOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-18(9-14(15,16)17)12-8-10(19)6-7-11(12)13(2,3)4/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165498179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).