2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol

C19H38FNO2 — CID 123221513

IUPAC2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
SMILESC=C(CCCCCCCF)CCCCCCCC(N)(CO)CO
InChIInChI=1S/C19H38FNO2/c1-18(13-9-5-3-7-11-15-20)12-8-4-2-6-10-14-19(21,16-22)17-23/h22-23H,1-17,21H2
InChIKeyGMTLTUJGGMERAN-UHFFFAOYSA-N
MW331.52 g/mol
LogP4.27
Rot. Bonds17

About 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol

2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol (PubChem CID 123221513) has the molecular formula C19H38FNO2 and a molecular weight of 331.52 g/mol. Its IUPAC name is 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
PubChem CID123221513
Molecular FormulaC19H38FNO2
Molecular Weight331.52 g/mol
Exact Mass331.29
IUPAC Name2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
SMILESC=C(CCCCCCCF)CCCCCCCC(N)(CO)CO
InChIInChI=1S/C19H38FNO2/c1-18(13-9-5-3-7-11-15-20)12-8-4-2-6-10-14-19(21,16-22)17-23/h22-23H,1-17,21H2
InChIKeyGMTLTUJGGMERAN-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-2-(14-fluorotetradecyl)propane-1,3-diol
CID 21849378
2-Amino-2-(13-fluorotridecyl)propane-1,3-diol
CID 21849493
2-Amino-2-(16-fluorohexadecyl)propane-1,3-diol
CID 71608475
2-Amino-2-(15-fluoropentadecyl)propane-1,3-diol
CID 78089961
2-Amino-2-(8-ethylidene-16-fluorohexadecyl)propane-1,3-diol
CID 123288875
2-Amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
CID 123660766
2-Amino-2-octadec-9-enylpropane-1,3-diol
CID 54365112
2-Amino-2-(8-methylidenetetradecyl)propane-1,3-diol
CID 123300351
2-Amino-2-(16-amino-8-methylidenehexadecyl)propane-1,3-diol
CID 123461277
2-Amino-2-(3-ethyl-6-methyltetradeca-3,5-dienyl)propane-1,3-diol
CID 123568352
2-Amino-2-(hydroxymethyl)-10-methylideneoctadecane-1,18-diol
CID 144535643
2-amino-2-[(E)-octadec-9-enyl]propane-1,3-diol
CID 21849558

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol (CID 123221513) is 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol is C=C(CCCCCCCF)CCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol?
The InChIKey is GMTLTUJGGMERAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38FNO2/c1-18(13-9-5-3-7-11-15-20)12-8-4-2-6-10-14-19(21,16-22)17-23/h22-23H,1-17,21H2.
What are the key properties of 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol?
2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol has a molecular weight of 331.52 g/mol, XLogP of 4.27, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol is sourced from PubChem (CID 123221513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).