2-amino-2-(fluoromethyl)octadecan-1-ol

C19H40FNO — CID 89415220

IUPAC2-amino-2-(fluoromethyl)octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(N)(CO)CF
InChIInChI=1S/C19H40FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21,17-20)18-22/h22H,2-18,21H2,1H3
InChIKeyXIBPBWOJZPMTQO-UHFFFAOYSA-N
MW317.53 g/mol
LogP5.52
Rot. Bonds17

About 2-amino-2-(fluoromethyl)octadecan-1-ol

2-amino-2-(fluoromethyl)octadecan-1-ol (PubChem CID 89415220) has the molecular formula C19H40FNO and a molecular weight of 317.53 g/mol. Its IUPAC name is 2-amino-2-(fluoromethyl)octadecan-1-ol.

Molecular Properties

Compound Name2-amino-2-(fluoromethyl)octadecan-1-ol
PubChem CID89415220
Molecular FormulaC19H40FNO
Molecular Weight317.53 g/mol
Exact Mass317.31
IUPAC Name2-amino-2-(fluoromethyl)octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(N)(CO)CF
InChIInChI=1S/C19H40FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21,17-20)18-22/h22H,2-18,21H2,1H3
InChIKeyXIBPBWOJZPMTQO-UHFFFAOYSA-N
XLogP5.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.53
LogP ≤ 55.52
H-Bond Donors ≤ 52
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 2-amino-2-(fluoromethyl)octadecan-1-ol?
The IUPAC name of 2-amino-2-(fluoromethyl)octadecan-1-ol (CID 89415220) is 2-amino-2-(fluoromethyl)octadecan-1-ol.
What is the SMILES notation for 2-amino-2-(fluoromethyl)octadecan-1-ol?
The canonical SMILES for 2-amino-2-(fluoromethyl)octadecan-1-ol is CCCCCCCCCCCCCCCCC(N)(CO)CF.
What is the InChIKey of 2-amino-2-(fluoromethyl)octadecan-1-ol?
The InChIKey is XIBPBWOJZPMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21,17-20)18-22/h22H,2-18,21H2,1H3.
What are the key properties of 2-amino-2-(fluoromethyl)octadecan-1-ol?
2-amino-2-(fluoromethyl)octadecan-1-ol has a molecular weight of 317.53 g/mol, XLogP of 5.52, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(fluoromethyl)octadecan-1-ol is sourced from PubChem (CID 89415220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).