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

C16H30F3NO — CID 62609042

IUPAC4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-11(2)20(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)21/h11-14,21H,6-10H2,1-5H3
InChIKeyMMFVNOUGFKZIMZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.08
Rot. Bonds4

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

4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609042) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609042
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)N(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-11(2)20(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)21/h11-14,21H,6-10H2,1-5H3
InChIKeyMMFVNOUGFKZIMZ-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609042) is 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CC(C)N(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MMFVNOUGFKZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-11(2)20(10-16(17,18)19)9-12-8-13(15(3,4)5)6-7-14(12)21/h11-14,21H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 309.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).