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

C10H16F5NO2 — CID 59204036

IUPAC2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO2/c1-3-16(4-2)6-5-8(17)18-7-9(11,12)10(13,14)15/h3-7H2,1-2H3
InChIKeyMBAVEBOCNDJMEO-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.46
Rot. Bonds7

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

2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate (PubChem CID 59204036) has the molecular formula C10H16F5NO2 and a molecular weight of 277.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate
PubChem CID59204036
Molecular FormulaC10H16F5NO2
Molecular Weight277.23 g/mol
Exact Mass277.11
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate
SMILESCCN(CC)CCC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO2/c1-3-16(4-2)6-5-8(17)18-7-9(11,12)10(13,14)15/h3-7H2,1-2H3
InChIKeyMBAVEBOCNDJMEO-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate 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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 3-(dibutylamino)propanoate
CID 59013000
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91727103
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
2,2,3,3,4,4,4-heptafluorobutyl octadecanoate
CID 91691488
3-(diethylamino)propanoyl fluoride
CID 139607789
1-O-[(E)-dodec-2-enyl] 5-O-(2,2,3,3,3-pentafluoropropyl) pentanedioate
CID 91738427
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoate
CID 62027910
4-O-(2,2,3,3,4,4,4-heptafluorobutyl) 1-O-octadecyl butanedioate
CID 91740883

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate (CID 59204036) is 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate is CCN(CC)CCC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate?
The InChIKey is MBAVEBOCNDJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO2/c1-3-16(4-2)6-5-8(17)18-7-9(11,12)10(13,14)15/h3-7H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate?
2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate has a molecular weight of 277.23 g/mol, XLogP of 2.46, 7 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-(diethylamino)propanoate is sourced from PubChem (CID 59204036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).