1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine

C12H13F6N — CID 155397057

IUPAC1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine
SMILESFC(F)(F)C(=C1CCC=C1N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H13F6N/c13-11(14,15)10(12(16,17)18)8-4-3-5-9(8)19-6-1-2-7-19/h5H,1-4,6-7H2
InChIKeyYQJPTJAJVSAATB-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.18
Rot. Bonds1

About 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine

1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine (PubChem CID 155397057) has the molecular formula C12H13F6N and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine
PubChem CID155397057
Molecular FormulaC12H13F6N
Molecular Weight285.23 g/mol
Exact Mass285.10
IUPAC Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine
SMILESFC(F)(F)C(=C1CCC=C1N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H13F6N/c13-11(14,15)10(12(16,17)18)8-4-3-5-9(8)19-6-1-2-7-19/h5H,1-4,6-7H2
InChIKeyYQJPTJAJVSAATB-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine
CID 142185265
1-[(5E)-5-(2,2,2-trifluoroethylidene)cyclopenten-1-yl]pyrrolidine
CID 164806139
3,3-Difluoro-1-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 166838445
2-methyl-1-[(3E,5E)-7,7,7-trifluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
CID 166960930
(6R)-6-fluoro-1-methylidene-2,3,5,6-tetrahydropyrrolizine
CID 167494782
2-(Difluoromethylidene)-1,3,5,6-tetrahydropyrrolizine
CID 174227379
2-Fluoro-1-methylidene-2,3,5,6-tetrahydropyrrolizine
CID 176383118
1-(Fluoromethylidene)-2,3,5,6-tetrahydropyrrolizine
CID 176383269
1-(Difluoromethylidene)-2,3,5,6-tetrahydropyrrolizine
CID 177751437
(2E,3Z)-5-(difluoromethyl)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrolidine
CID 142034242
1,1-Difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine
CID 145172124
(2Z)-2-[(3Z,5Z)-2-butan-2-ylidene-3-[(E)-1-fluorobut-2-en-2-yl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpyrrolidine
CID 178040147

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine?
The IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine (CID 155397057) is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine.
What is the SMILES notation for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine?
The canonical SMILES for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine is FC(F)(F)C(=C1CCC=C1N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine?
The InChIKey is YQJPTJAJVSAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N/c13-11(14,15)10(12(16,17)18)8-4-3-5-9(8)19-6-1-2-7-19/h5H,1-4,6-7H2.
What are the key properties of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine?
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine has a molecular weight of 285.23 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopenten-1-yl]pyrrolidine is sourced from PubChem (CID 155397057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).