4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C13H24F3NO — CID 81013519

IUPAC4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2)6-5-11(17)10(8-12)4-3-7-18-9-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyRRRDQMKDAJUYSK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds5

About 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 81013519) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID81013519
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2)6-5-11(17)10(8-12)4-3-7-18-9-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyRRRDQMKDAJUYSK-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 81013519) is 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CC1(C)CCC(N)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is RRRDQMKDAJUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2)6-5-11(17)10(8-12)4-3-7-18-9-13(14,15)16/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 81013519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).