1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine

C8H11F4N — CID 155217221

IUPAC1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
SMILESC=C(F)[C@@H](N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(9)7(8(10,11)12)13-4-2-3-5-13/h7H,1-5H2/t7-/m1/s1
InChIKeyUPGXHXVUFAQVNF-SSDOTTSWSA-N
MW197.17 g/mol
LogP2.50
Rot. Bonds2

About 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine

1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine (PubChem CID 155217221) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
PubChem CID155217221
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
SMILESC=C(F)[C@@H](N1CCCC1)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(9)7(8(10,11)12)13-4-2-3-5-13/h7H,1-5H2/t7-/m1/s1
InChIKeyUPGXHXVUFAQVNF-SSDOTTSWSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine (CID 155217221) is 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine is C=C(F)[C@@H](N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine?
The InChIKey is UPGXHXVUFAQVNF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F4N/c1-6(9)7(8(10,11)12)13-4-2-3-5-13/h7H,1-5H2/t7-/m1/s1.
What are the key properties of 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine?
1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine has a molecular weight of 197.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine is sourced from PubChem (CID 155217221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).