N-(2,2,2-trifluoroethyl)octadecan-1-amine

C20H40F3N — CID 13041690

IUPACN-(2,2,2-trifluoroethyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCC(F)(F)F
InChIInChI=1S/C20H40F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(21,22)23/h24H,2-19H2,1H3
InChIKeySLORPZXQLWUEST-UHFFFAOYSA-N
MW351.54 g/mol
LogP7.40
Rot. Bonds18

About N-(2,2,2-trifluoroethyl)octadecan-1-amine

N-(2,2,2-trifluoroethyl)octadecan-1-amine (PubChem CID 13041690) has the molecular formula C20H40F3N and a molecular weight of 351.54 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)octadecan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)octadecan-1-amine
PubChem CID13041690
Molecular FormulaC20H40F3N
Molecular Weight351.54 g/mol
Exact Mass351.31
IUPAC NameN-(2,2,2-trifluoroethyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCC(F)(F)F
InChIInChI=1S/C20H40F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(21,22)23/h24H,2-19H2,1H3
InChIKeySLORPZXQLWUEST-UHFFFAOYSA-N
XLogP7.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2,2,2-trifluoroethyl)octadecan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)octadecan-1-amine (CID 13041690) is N-(2,2,2-trifluoroethyl)octadecan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)octadecan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)octadecan-1-amine?
The InChIKey is SLORPZXQLWUEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(21,22)23/h24H,2-19H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)octadecan-1-amine?
N-(2,2,2-trifluoroethyl)octadecan-1-amine has a molecular weight of 351.54 g/mol, XLogP of 7.40, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)octadecan-1-amine is sourced from PubChem (CID 13041690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).