1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine

C10H8F11N — CID 13196941

IUPAC1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
SMILESFC(F)(F)C(=C(N1CCCC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-7(12,10(19,20)21)6(22-3-1-2-4-22)5(8(13,14)15)9(16,17)18/h1-4H2
InChIKeyXOZDWNSVXRCHNO-UHFFFAOYSA-N
MW351.16 g/mol
LogP4.66
Rot. Bonds2

About 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine

1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine (PubChem CID 13196941) has the molecular formula C10H8F11N and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
PubChem CID13196941
Molecular FormulaC10H8F11N
Molecular Weight351.16 g/mol
Exact Mass351.05
IUPAC Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
SMILESFC(F)(F)C(=C(N1CCCC1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-7(12,10(19,20)21)6(22-3-1-2-4-22)5(8(13,14)15)9(16,17)18/h1-4H2
InChIKeyXOZDWNSVXRCHNO-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.66
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-[1,1,1,2,3,5,5,5-Octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
CID 13196945
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
1-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 122595759
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
1-[1,1,1-Trifluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
CID 132234557
3-Propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 138507099
4,4-Difluoro-1-propan-2-yl-2-propan-2-ylidenepyrrolidine
CID 146244449
1-(1,1,1,2,4,4,5,5,5-Nonafluoropent-2-en-3-yl)pyrrolidine
CID 150483087
1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
CID 153363768
(3E)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160731
(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160951
1-[(E)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-yl]pyrrolidine
CID 162455181

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine?
The IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine (CID 13196941) is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine is FC(F)(F)C(=C(N1CCCC1)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine?
The InChIKey is XOZDWNSVXRCHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11N/c11-7(12,10(19,20)21)6(22-3-1-2-4-22)5(8(13,14)15)9(16,17)18/h1-4H2.
What are the key properties of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine?
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine has a molecular weight of 351.16 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine is sourced from PubChem (CID 13196941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).