1,2,3,3,4,4-hexafluoro-5-methylcyclopentene

C6H4F6 — CID 87084189

IUPAC1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
SMILESCC1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F6/c1-2-3(7)4(8)6(11,12)5(2,9)10/h2H,1H3
InChIKeyJZOAXSYHWKEDTB-UHFFFAOYSA-N
MW190.09 g/mol
LogP3.06
Rot. Bonds

About 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene

1,2,3,3,4,4-hexafluoro-5-methylcyclopentene (PubChem CID 87084189) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene.

Molecular Properties

Compound Name1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
PubChem CID87084189
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
SMILESCC1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F6/c1-2-3(7)4(8)6(11,12)5(2,9)10/h2H,1H3
InChIKeyJZOAXSYHWKEDTB-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
CID 174225846
2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
CID 21245995
3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene
CID 22369035
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
2-chloro-1,3,3,4,4,5,5,6-octafluorocyclohexene;1,2,3-trichloro-5-methylbenzene
CID 158398553
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
1,4,5,6-tetrafluoro-7-methyl-8-[(Z)-prop-1-enyl]bicyclo[2.2.2]oct-5-ene-2,3-dione
CID 177403647
3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane
CID 87070308
7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
CID 154154030
2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene?
The IUPAC name of 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene (CID 87084189) is 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene.
What is the SMILES notation for 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene?
The canonical SMILES for 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene is CC1C(F)=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene?
The InChIKey is JZOAXSYHWKEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c1-2-3(7)4(8)6(11,12)5(2,9)10/h2H,1H3.
What are the key properties of 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene?
1,2,3,3,4,4-hexafluoro-5-methylcyclopentene has a molecular weight of 190.09 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4-hexafluoro-5-methylcyclopentene is sourced from PubChem (CID 87084189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).