1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate

C24H43F6NO3 — CID 176800294

IUPAC1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate
SMILESO=C(CCCCCCNCCO)OC(CCCCCCCC(F)(F)F)CCCCCC(F)(F)F
InChIInChI=1S/C24H43F6NO3/c25-23(26,27)16-10-4-1-2-7-13-21(14-8-6-11-17-24(28,29)30)34-22(33)15-9-3-5-12-18-31-19-20-32/h21,31-32H,1-20H2
InChIKeyBZLPROSOBHFVCN-UHFFFAOYSA-N
MW507.60 g/mol
LogP7.24
Rot. Bonds22

About 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate

1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate (PubChem CID 176800294) has the molecular formula C24H43F6NO3 and a molecular weight of 507.60 g/mol. Its IUPAC name is 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate.

Molecular Properties

Compound Name1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate
PubChem CID176800294
Molecular FormulaC24H43F6NO3
Molecular Weight507.60 g/mol
Exact Mass507.31
IUPAC Name1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate
SMILESO=C(CCCCCCNCCO)OC(CCCCCCCC(F)(F)F)CCCCCC(F)(F)F
InChIInChI=1S/C24H43F6NO3/c25-23(26,27)16-10-4-1-2-7-13-21(14-8-6-11-17-24(28,29)30)34-22(33)15-9-3-5-12-18-31-19-20-32/h21,31-32H,1-20H2
InChIKeyBZLPROSOBHFVCN-UHFFFAOYSA-N
XLogP7.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate 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

1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-[[7-(1,1,1,15,15,15-hexafluoropentadecan-7-yloxy)-7-oxoheptyl]-(2-hydroxyethyl)amino]heptanoate
CID 169189855
ethyl 6-(5,5,5-trifluoropentylamino)hexanoate
CID 115518858
tridecan-7-yl 4-(5-pentyldecylamino)butanoate
CID 174176482
decan-2-yl 8-(2-hydroxyethylamino)octanoate
CID 140916939
heptadecan-9-yl 8-[2-[2-hydroxyethyl(methyl)amino]ethylamino]octanoate
CID 166149192
heptadecan-9-yl 8-[(6-nonoxy-6-oxohexyl)amino]octanoate
CID 146475325
heptadecan-9-yl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]hexanoate
CID 177094272
heptadecan-9-yl 8-[3-(methanesulfonamido)propylamino]octanoate
CID 164552008
heptadecan-9-yl 6-[3-[2-hydroxyethyl-(4-oxo-4-undecoxybutyl)amino]propylamino]hexanoate
CID 177094266
2,3-di(octadecanoyloxy)propyl octadecanoate;2-(2-hydroxyethylamino)ethanol
CID 87199255
3-butylheptyl 8-[(8-hexadecan-8-yloxy-8-oxooctyl)amino]octanoate;ethane
CID 178081116
icosan-10-yl decanoate
CID 152733830

Frequently Asked Questions

What is the IUPAC name of 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate?
The IUPAC name of 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate (CID 176800294) is 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate.
What is the SMILES notation for 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate?
The canonical SMILES for 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate is O=C(CCCCCCNCCO)OC(CCCCCCCC(F)(F)F)CCCCCC(F)(F)F.
What is the InChIKey of 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate?
The InChIKey is BZLPROSOBHFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43F6NO3/c25-23(26,27)16-10-4-1-2-7-13-21(14-8-6-11-17-24(28,29)30)34-22(33)15-9-3-5-12-18-31-19-20-32/h21,31-32H,1-20H2.
What are the key properties of 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate?
1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate has a molecular weight of 507.60 g/mol, XLogP of 7.24, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,15,15,15-hexafluoropentadecan-7-yl 7-(2-hydroxyethylamino)heptanoate is sourced from PubChem (CID 176800294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).