3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

C11H20F3NO — CID 79619207

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCCN(CC(F)(F)F)C1CCCC(O)C1
InChIInChI=1S/C11H20F3NO/c1-2-6-15(8-11(12,13)14)9-4-3-5-10(16)7-9/h9-10,16H,2-8H2,1H3
InChIKeyUQPTVLQJKJDLSP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.56
Rot. Bonds4

About 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 79619207) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID79619207
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCCN(CC(F)(F)F)C1CCCC(O)C1
InChIInChI=1S/C11H20F3NO/c1-2-6-15(8-11(12,13)14)9-4-3-5-10(16)7-9/h9-10,16H,2-8H2,1H3
InChIKeyUQPTVLQJKJDLSP-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 79619207) is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is CCCN(CC(F)(F)F)C1CCCC(O)C1.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is UQPTVLQJKJDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-6-15(8-11(12,13)14)9-4-3-5-10(16)7-9/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79619207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).