1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine

C10H15F2N — CID 155372748

IUPAC1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine
SMILESC=CC(N1CCCC1)C(F)(F)C=C
InChIInChI=1S/C10H15F2N/c1-3-9(10(11,12)4-2)13-7-5-6-8-13/h3-4,9H,1-2,5-8H2
InChIKeyYHICHVMYDNSOHI-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.46
Rot. Bonds4

About 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine

1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine (PubChem CID 155372748) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine
PubChem CID155372748
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine
SMILESC=CC(N1CCCC1)C(F)(F)C=C
InChIInChI=1S/C10H15F2N/c1-3-9(10(11,12)4-2)13-7-5-6-8-13/h3-4,9H,1-2,5-8H2
InChIKeyYHICHVMYDNSOHI-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-But-3-en-2-ylpyrrolidine
CID 57120204
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-(1,1,1,3,3-Pentafluoropent-4-en-2-yl)pyrrolidine
CID 124118207
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)pyrrolidine
CID 129207494
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)pyrrolidine
CID 129207766
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
CID 134269934
1-(1,1,2,3,3-Pentafluoropent-4-enyl)pyrrolidine
CID 134384144
3,3-Difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
CID 142596240
2-(1,1-Difluoroprop-2-enyl)-1-methylpyrrolidine
CID 143553468
1-[(2R)-1,1,1,3-tetrafluorobut-3-en-2-yl]pyrrolidine
CID 155217221
2-Ethenyl-1-ethyl-4-fluoropyrrolidine
CID 156099572
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine;hydrofluoride
CID 157358112

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine?
The IUPAC name of 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine (CID 155372748) is 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine.
What is the SMILES notation for 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine?
The canonical SMILES for 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine is C=CC(N1CCCC1)C(F)(F)C=C.
What is the InChIKey of 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine?
The InChIKey is YHICHVMYDNSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-3-9(10(11,12)4-2)13-7-5-6-8-13/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine?
1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine has a molecular weight of 187.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorohexa-1,5-dien-3-yl)pyrrolidine is sourced from PubChem (CID 155372748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).