3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene

C9H2F14O — CID 155670558

IUPAC3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
SMILESFC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H2F14O/c10-3(11)1-2-4(12,6(3,13)14)24-5(7(15,16)17,8(18,19)20)9(21,22)23/h1-2H
InChIKeyUGMRJEBKWNFXJC-UHFFFAOYSA-N
MW392.09 g/mol
LogP4.93
Rot. Bonds2

About 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene

3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene (PubChem CID 155670558) has the molecular formula C9H2F14O and a molecular weight of 392.09 g/mol. Its IUPAC name is 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene.

Molecular Properties

Compound Name3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
PubChem CID155670558
Molecular FormulaC9H2F14O
Molecular Weight392.09 g/mol
Exact Mass391.99
IUPAC Name3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
SMILESFC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H2F14O/c10-3(11)1-2-4(12,6(3,13)14)24-5(7(15,16)17,8(18,19)20)9(21,22)23/h1-2H
InChIKeyUGMRJEBKWNFXJC-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 155670513
3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 13054
1,1,2,2-tetrafluoro-3,3-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclopentane
CID 155670552
3,4,4,5,5,6-hexafluoro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)cyclohexene
CID 151074158
3-ethoxy-3,4,4-trifluorocyclobutene
CID 119098235
cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 97291005
3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene
CID 150511473
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
CID 138604570
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 98047723
3-chloro-3,4,4-trifluorocyclobutene
CID 19387489
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene?
The IUPAC name of 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene (CID 155670558) is 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene.
What is the SMILES notation for 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene?
The canonical SMILES for 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene is FC(F)(F)C(OC1(F)C=CC(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene?
The InChIKey is UGMRJEBKWNFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F14O/c10-3(11)1-2-4(12,6(3,13)14)24-5(7(15,16)17,8(18,19)20)9(21,22)23/h1-2H.
What are the key properties of 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene?
3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene has a molecular weight of 392.09 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene is sourced from PubChem (CID 155670558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).