1-(2,2,2-trifluoroethoxy)dodecan-3-amine

C14H28F3NO — CID 103148186

IUPAC1-(2,2,2-trifluoroethoxy)dodecan-3-amine
SMILESCCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-13(18)10-11-19-12-14(15,16)17/h13H,2-12,18H2,1H3
InChIKeyZYCYIHVBXDCYDI-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.42
Rot. Bonds12

About 1-(2,2,2-trifluoroethoxy)dodecan-3-amine

1-(2,2,2-trifluoroethoxy)dodecan-3-amine (PubChem CID 103148186) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)dodecan-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)dodecan-3-amine
PubChem CID103148186
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name1-(2,2,2-trifluoroethoxy)dodecan-3-amine
SMILESCCCCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-13(18)10-11-19-12-14(15,16)17/h13H,2-12,18H2,1H3
InChIKeyZYCYIHVBXDCYDI-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.42
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 1-(2,2,2-trifluoroethoxy)dodecan-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)dodecan-3-amine (CID 103148186) is 1-(2,2,2-trifluoroethoxy)dodecan-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)dodecan-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)dodecan-3-amine is CCCCCCCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)dodecan-3-amine?
The InChIKey is ZYCYIHVBXDCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-2-3-4-5-6-7-8-9-13(18)10-11-19-12-14(15,16)17/h13H,2-12,18H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)dodecan-3-amine?
1-(2,2,2-trifluoroethoxy)dodecan-3-amine has a molecular weight of 283.38 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)dodecan-3-amine is sourced from PubChem (CID 103148186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).