4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one

C10H16F3NO2 — CID 79119613

IUPAC4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one
SMILESCN(CC(O)C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-9(16)10(11,12)13)7-2-4-8(15)5-3-7/h7,9,16H,2-6H2,1H3
InChIKeyKZPFKYLFAWCUHD-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.35
Rot. Bonds3

About 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one

4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one (PubChem CID 79119613) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one
PubChem CID79119613
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one
SMILESCN(CC(O)C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-9(16)10(11,12)13)7-2-4-8(15)5-3-7/h7,9,16H,2-6H2,1H3
InChIKeyKZPFKYLFAWCUHD-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one (CID 79119613) is 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one is CN(CC(O)C(F)(F)F)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one?
The InChIKey is KZPFKYLFAWCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(6-9(16)10(11,12)13)7-2-4-8(15)5-3-7/h7,9,16H,2-6H2,1H3.
What are the key properties of 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one?
4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79119613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).