3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine

C13H24F3NO — CID 43752924

IUPAC3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
SMILESCC1CCC(C(C)C)C(OC(CN)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-8(2)10-5-4-9(3)6-11(10)18-12(7-17)13(14,15)16/h8-12H,4-7,17H2,1-3H3
InChIKeyZUXVJZVFGGFEGT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds4

About 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine

3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine (PubChem CID 43752924) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
PubChem CID43752924
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
SMILESCC1CCC(C(C)C)C(OC(CN)C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-8(2)10-5-4-9(3)6-11(10)18-12(7-17)13(14,15)16/h8-12H,4-7,17H2,1-3H3
InChIKeyZUXVJZVFGGFEGT-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine (CID 43752924) is 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine is CC1CCC(C(C)C)C(OC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
The InChIKey is ZUXVJZVFGGFEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-8(2)10-5-4-9(3)6-11(10)18-12(7-17)13(14,15)16/h8-12H,4-7,17H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine?
3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 43752924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).