ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine

C8H15F4N — CID 178039048

IUPACethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCC.CCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H9F4N.C2H6/c1-2-11-3-5(7,8)6(9,10)4-11;1-2/h2-4H2,1H3;1-2H3
InChIKeySSHLLDSKSMQGHG-UHFFFAOYSA-N
MW201.21 g/mol
LogP2.62
Rot. Bonds1

About ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine

ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine (PubChem CID 178039048) has the molecular formula C8H15F4N and a molecular weight of 201.21 g/mol. Its IUPAC name is ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine
PubChem CID178039048
Molecular FormulaC8H15F4N
Molecular Weight201.21 g/mol
Exact Mass201.11
IUPAC Nameethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCC.CCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H9F4N.C2H6/c1-2-11-3-5(7,8)6(9,10)4-11;1-2/h2-4H2,1H3;1-2H3
InChIKeySSHLLDSKSMQGHG-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
1-Butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate
CID 23082572
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-methyl-N-butylpyrrolidinium-pentafluoroethyltrifluoroborate
CID 12157906
Trifluoromethylpyrrolidine
CID 22011299
3-Fluoro-1-methylpyrrolidine
CID 57749492
fluoro-N-methylpyrrolidine
CID 89989596
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
Pentafluorotributylamine
CID 129731872
2,2,3,4,5,5-Hexafluoro-1-methylpyrrolidine
CID 12847250
Nona-fluorotributylamine
CID 86154332
3,3,4,4-Tetrafluoro-1-methylpyrrolidine
CID 13028735

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The IUPAC name of ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine (CID 178039048) is ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine.
What is the SMILES notation for ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The canonical SMILES for ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine is CC.CCN1CC(F)(F)C(F)(F)C1.
What is the InChIKey of ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The InChIKey is SSHLLDSKSMQGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N.C2H6/c1-2-11-3-5(7,8)6(9,10)4-11;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine has a molecular weight of 201.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3,3,4,4-tetrafluoropyrrolidine is sourced from PubChem (CID 178039048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).