1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride

C7H9F6N — CID 159100780

IUPAC1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride
SMILESF.FC(F)=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5N.FH/c8-5(6(9)10)7(11,12)13-3-1-2-4-13;/h1-4H2;1H
InChIKeyKDGBYUORJADDFB-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.91
Rot. Bonds2

About 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride

1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride (PubChem CID 159100780) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride
PubChem CID159100780
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride
SMILESF.FC(F)=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5N.FH/c8-5(6(9)10)7(11,12)13-3-1-2-4-13;/h1-4H2;1H
InChIKeyKDGBYUORJADDFB-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
Trifluoromethylpyrrolidine
CID 22011299
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrrolidine
CID 13864934
3,3,4,4-Tetrafluoro-1-prop-2-enylpyrrolidine
CID 58361966
1-Ethyl-3,3,4,4-tetrafluoropyrrolidine
CID 58921645
1-(Difluoromethyl)pyrrolidine
CID 68643674
1-(2,2,3-Trifluoropropyl)pyrrolidine
CID 69399425
1-(3,3,3-Trifluoropropyl)pyrrolidine
CID 69399429
1-(2,3,3-Trifluoropropyl)pyrrolidine
CID 69399431
1-(1,1,2-Trifluoroethyl)pyrrolidine
CID 69400976
1-(1,2,2-Trifluoroethyl)pyrrolidine
CID 69400979
1-(1,2,2-Trifluoroethenyl)pyrrolidine
CID 85576838

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride?
The IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride (CID 159100780) is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride is F.FC(F)=C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride?
The InChIKey is KDGBYUORJADDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N.FH/c8-5(6(9)10)7(11,12)13-3-1-2-4-13;/h1-4H2;1H.
What are the key properties of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride?
1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride has a molecular weight of 221.14 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine;hydrofluoride is sourced from PubChem (CID 159100780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).