1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene

C11H7F13 — CID 175085744

IUPAC1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C1=CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F13/c12-7(13,8(14,15)11(22,23)24)6(9(16,17)18,10(19,20)21)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeyBSMFFGNLOLTFCP-UHFFFAOYSA-N
MW386.15 g/mol
LogP6.04
Rot. Bonds3

About 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene

1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene (PubChem CID 175085744) has the molecular formula C11H7F13 and a molecular weight of 386.15 g/mol. Its IUPAC name is 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene.

Molecular Properties

Compound Name1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene
PubChem CID175085744
Molecular FormulaC11H7F13
Molecular Weight386.15 g/mol
Exact Mass386.03
IUPAC Name1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C1=CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F13/c12-7(13,8(14,15)11(22,23)24)6(9(16,17)18,10(19,20)21)5-3-1-2-4-5/h3H,1-2,4H2
InChIKeyBSMFFGNLOLTFCP-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.15
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene?
The IUPAC name of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene (CID 175085744) is 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene.
What is the SMILES notation for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene?
The canonical SMILES for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene is FC(F)(F)C(F)(F)C(F)(F)C(C1=CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene?
The InChIKey is BSMFFGNLOLTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13/c12-7(13,8(14,15)11(22,23)24)6(9(16,17)18,10(19,20)21)5-3-1-2-4-5/h3H,1-2,4H2.
What are the key properties of 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene?
1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene has a molecular weight of 386.15 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]cyclopentene is sourced from PubChem (CID 175085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).