2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate

C12H20F5NO2 — CID 59204122

IUPAC2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c1-3-6-18(7-4-2)8-5-10(19)20-9-11(13,14)12(15,16)17/h3-9H2,1-2H3
InChIKeyRKRVKXPXMLWLAX-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.24
Rot. Bonds9

About 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate

2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate (PubChem CID 59204122) has the molecular formula C12H20F5NO2 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate
PubChem CID59204122
Molecular FormulaC12H20F5NO2
Molecular Weight305.29 g/mol
Exact Mass305.14
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c1-3-6-18(7-4-2)8-5-10(19)20-9-11(13,14)12(15,16)17/h3-9H2,1-2H3
InChIKeyRKRVKXPXMLWLAX-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
CID 32246
Ethyl 3-(diethylamino)propionate
CID 79649
Ethyl 3-(dipropylamino)propanoate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
3-Ethoxy-N-ethyl-N,N-dimethyl-3-oxopropan-1-aminium iodide
CID 30907
Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ethyl ester
CID 30909
1-Aziridinepropionic acid, 2,2,3,3-tetrafluoropropyl ester
CID 32217
2,2,3,3,3-Pentafluoropropyl 3-(aziridin-1-yl)propanoate
CID 32218
Ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate
CID 2758500
Triethyl 3,3',3''-nitrilotripropionate
CID 408989
Ethyl 3-(dibutylamino)propanoate
CID 88373
Ethyl 3-[(3-ethoxy-3-oxopropyl)-ethylamino]propanoate
CID 346205

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate (CID 59204122) is 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate is CCCN(CCC)CCC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate?
The InChIKey is RKRVKXPXMLWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO2/c1-3-6-18(7-4-2)8-5-10(19)20-9-11(13,14)12(15,16)17/h3-9H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate?
2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate has a molecular weight of 305.29 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-(dipropylamino)propanoate is sourced from PubChem (CID 59204122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).