1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine

C8H10F5N — CID 129207494

IUPAC1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine
SMILESC=C(F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-6(9)7(10,8(11,12)13)14-4-2-3-5-14/h1-5H2
InChIKeyRRPQSRPSFXRBKJ-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.79
Rot. Bonds2

About 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine

1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine (PubChem CID 129207494) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine
PubChem CID129207494
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine
SMILESC=C(F)C(F)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-6(9)7(10,8(11,12)13)14-4-2-3-5-14/h1-5H2
InChIKeyRRPQSRPSFXRBKJ-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.79
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-[1,1,1,2,3,5,5,5-Octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
CID 13196945
2,2,3,3,4,4,5,5-Octafluoro-1-(1,2,2-trifluorobut-3-enyl)pyrrolidine
CID 124111205
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118188
1-(1,1,1,3,3-Pentafluoropent-4-en-2-yl)pyrrolidine
CID 124118207
1-(1,1,2-Trifluoroprop-2-enyl)pyrrolidine
CID 129207502
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207505
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)pyrrolidine
CID 129207766
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)pyrrolidine
CID 129271429
1-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)pyrrolidine
CID 129271748
1-(1,1,2,3,3-Pentafluoropent-4-enyl)pyrrolidine
CID 134384144
1-(2,3-Difluorobut-3-en-2-yl)pyrrolidine
CID 140936885

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine?
The IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine (CID 129207494) is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine is C=C(F)C(F)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine?
The InChIKey is RRPQSRPSFXRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N/c1-6(9)7(10,8(11,12)13)14-4-2-3-5-14/h1-5H2.
What are the key properties of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine?
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine has a molecular weight of 215.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 129207494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).