20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine

C22H40F7N — CID 155015019

IUPAC20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
SMILESNCCCCCCCCCCCCCCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H40F7N/c23-20(21(24,25)26,22(27,28)29)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-30/h1-19,30H2
InChIKeyURSCZJGEXPSCOV-UHFFFAOYSA-N
MW451.56 g/mol
LogP8.80
Rot. Bonds19

About 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine

20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine (PubChem CID 155015019) has the molecular formula C22H40F7N and a molecular weight of 451.56 g/mol. Its IUPAC name is 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine.

Molecular Properties

Compound Name20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
PubChem CID155015019
Molecular FormulaC22H40F7N
Molecular Weight451.56 g/mol
Exact Mass451.30
IUPAC Name20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
SMILESNCCCCCCCCCCCCCCCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H40F7N/c23-20(21(24,25)26,22(27,28)29)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-30/h1-19,30H2
InChIKeyURSCZJGEXPSCOV-UHFFFAOYSA-N
XLogP8.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 58.80
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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Related Compounds

10,10,10-trifluorodecan-1-amine
CID 151642080
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
1,1,1,2-tetrafluoro-2-(trifluoromethyl)nonane;uranium
CID 147368980
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
18,18-dimethylnonadecan-1-amine
CID 53249240
2,2-bis(aminomethyl)octane-1,8-diamine
CID 174940761
12,12-dimethyltridecan-1-amine
CID 87103604
1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium
CID 159332832

Frequently Asked Questions

What is the IUPAC name of 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine?
The IUPAC name of 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine (CID 155015019) is 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine.
What is the SMILES notation for 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine?
The canonical SMILES for 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine is NCCCCCCCCCCCCCCCCCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine?
The InChIKey is URSCZJGEXPSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F7N/c23-20(21(24,25)26,22(27,28)29)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-30/h1-19,30H2.
What are the key properties of 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine?
20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine has a molecular weight of 451.56 g/mol, XLogP of 8.80, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine is sourced from PubChem (CID 155015019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).