2-(fluoromethyl)henicosan-1-amine

C22H46FN — CID 175054402

IUPAC2-(fluoromethyl)henicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCC(CN)CF
InChIInChI=1S/C22H46FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-23)21-24/h22H,2-21,24H2,1H3
InChIKeyZMEFXXREQNPIKB-UHFFFAOYSA-N
MW343.62 g/mol
LogP7.57
Rot. Bonds20

About 2-(fluoromethyl)henicosan-1-amine

2-(fluoromethyl)henicosan-1-amine (PubChem CID 175054402) has the molecular formula C22H46FN and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(fluoromethyl)henicosan-1-amine.

Molecular Properties

Compound Name2-(fluoromethyl)henicosan-1-amine
PubChem CID175054402
Molecular FormulaC22H46FN
Molecular Weight343.62 g/mol
Exact Mass343.36
IUPAC Name2-(fluoromethyl)henicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCC(CN)CF
InChIInChI=1S/C22H46FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-23)21-24/h22H,2-21,24H2,1H3
InChIKeyZMEFXXREQNPIKB-UHFFFAOYSA-N
XLogP7.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 57.57
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

Tridecylamine, branched and linear
CID 22833454
Isononanamine
CID 119716
16-Dimethylheptadecan-1-amine
CID 111882
Isooctylamine
CID 73985
2-Decyltetradecan-1-amine
CID 11035605
2-Hexyldecan-1-amine
CID 15335006
2-Butyl-n-octan-1-amine
CID 18673284
2-n-Octyl-1-dodecylamine
CID 18761999
Medelamine A
CID 10353173
2-Methyloctane-1,8-diamine
CID 10877399
2-Propylheptan-1-amine
CID 21267775
Medelamine B
CID 10443740

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)henicosan-1-amine?
The IUPAC name of 2-(fluoromethyl)henicosan-1-amine (CID 175054402) is 2-(fluoromethyl)henicosan-1-amine.
What is the SMILES notation for 2-(fluoromethyl)henicosan-1-amine?
The canonical SMILES for 2-(fluoromethyl)henicosan-1-amine is CCCCCCCCCCCCCCCCCCCC(CN)CF.
What is the InChIKey of 2-(fluoromethyl)henicosan-1-amine?
The InChIKey is ZMEFXXREQNPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46FN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-23)21-24/h22H,2-21,24H2,1H3.
What are the key properties of 2-(fluoromethyl)henicosan-1-amine?
2-(fluoromethyl)henicosan-1-amine has a molecular weight of 343.62 g/mol, XLogP of 7.57, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)henicosan-1-amine is sourced from PubChem (CID 175054402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).