1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine

C9H9F10NO — CID 100977956

IUPAC1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C9H9F10NO/c10-5(6(11,12)20-3-1-2-4-20)21-9(18,19)7(13,14)8(15,16)17/h5H,1-4H2
InChIKeyJTTNAWBFQAFNHS-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.78
Rot. Bonds5

About 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine

1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine (PubChem CID 100977956) has the molecular formula C9H9F10NO and a molecular weight of 337.16 g/mol. Its IUPAC name is 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine
PubChem CID100977956
Molecular FormulaC9H9F10NO
Molecular Weight337.16 g/mol
Exact Mass337.05
IUPAC Name1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C9H9F10NO/c10-5(6(11,12)20-3-1-2-4-20)21-9(18,19)7(13,14)8(15,16)17/h5H,1-4H2
InChIKeyJTTNAWBFQAFNHS-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine 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-[1,1,2-Trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]pyrrolidine
CID 15414995
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157912
4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
(2-Ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
CID 20576769
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
CID 87204716
(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
CID 88974397
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
CID 91412214

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine (CID 100977956) is 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine is FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine?
The InChIKey is JTTNAWBFQAFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10NO/c10-5(6(11,12)20-3-1-2-4-20)21-9(18,19)7(13,14)8(15,16)17/h5H,1-4H2.
What are the key properties of 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine?
1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine has a molecular weight of 337.16 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrrolidine is sourced from PubChem (CID 100977956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).