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

C14H26F3NO — CID 62707915

IUPAC4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H26F3NO/c1-9(2)11-5-6-13(19)12(7-11)18(10(3)4)8-14(15,16)17/h9-13,19H,5-8H2,1-4H3
InChIKeyNQZWYDLODJNYJJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.44
Rot. Bonds4

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

4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 62707915) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID62707915
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H26F3NO/c1-9(2)11-5-6-13(19)12(7-11)18(10(3)4)8-14(15,16)17/h9-13,19H,5-8H2,1-4H3
InChIKeyNQZWYDLODJNYJJ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 62707915) is 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is CC(C)C1CCC(O)C(N(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is NQZWYDLODJNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-9(2)11-5-6-13(19)12(7-11)18(10(3)4)8-14(15,16)17/h9-13,19H,5-8H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62707915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).