2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate

C10H9F10NO3 — CID 91733397

IUPAC2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F10NO3/c1-2-21(5(22)7(11,12)9(15,16)17)3-4-24-6(23)8(13,14)10(18,19)20/h2-4H2,1H3
InChIKeyQATZLNKMXBQHIV-UHFFFAOYSA-N
MW381.17 g/mol
LogP2.77
Rot. Bonds6

About 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91733397) has the molecular formula C10H9F10NO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91733397
Molecular FormulaC10H9F10NO3
Molecular Weight381.17 g/mol
Exact Mass381.04
IUPAC Name2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F10NO3/c1-2-21(5(22)7(11,12)9(15,16)17)3-4-24-6(23)8(13,14)10(18,19)20/h2-4H2,1H3
InChIKeyQATZLNKMXBQHIV-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 52.77
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

Sarcosine, N-pentafluoropropionyl-, isopropyl ester
CID 605274
Sarcosine, n-heptafluorobutyryl-, isobutyl ester
CID 13743419
2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
Sarcosine, n-pentafluoropropionyl-, hexyl ester
CID 91730511
Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, pentyl ester
CID 91737639
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-(2,2,2-Trifluoro-N-methylacetamido)ethyl 2,2,2-trifluoroacetate
CID 88327225

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91733397) is 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate is CCN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is QATZLNKMXBQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10NO3/c1-2-21(5(22)7(11,12)9(15,16)17)3-4-24-6(23)8(13,14)10(18,19)20/h2-4H2,1H3.
What are the key properties of 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 381.17 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91733397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).