5,5,6,6,6-pentafluoro-2-methylhex-2-ene

C7H9F5 — CID 86128587

IUPAC5,5,6,6,6-pentafluoro-2-methylhex-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-5(2)3-4-6(8,9)7(10,11)12/h3H,4H2,1-2H3
InChIKeyRJZFNVWCVXHEJH-UHFFFAOYSA-N
MW188.14 g/mol
LogP3.54
Rot. Bonds2

About 5,5,6,6,6-pentafluoro-2-methylhex-2-ene

5,5,6,6,6-pentafluoro-2-methylhex-2-ene (PubChem CID 86128587) has the molecular formula C7H9F5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 5,5,6,6,6-pentafluoro-2-methylhex-2-ene.

Molecular Properties

Compound Name5,5,6,6,6-pentafluoro-2-methylhex-2-ene
PubChem CID86128587
Molecular FormulaC7H9F5
Molecular Weight188.14 g/mol
Exact Mass188.06
IUPAC Name5,5,6,6,6-pentafluoro-2-methylhex-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5/c1-5(2)3-4-6(8,9)7(10,11)12/h3H,4H2,1-2H3
InChIKeyRJZFNVWCVXHEJH-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 53.54
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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Related Compounds

1-Propenylperfluoropropane
CID 2774912
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-ene
CID 5708518
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
5,6,6,7,7,7-Hexafluoro-4-(trifluoromethyl)-1,4-heptadiene
CID 3019663
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
5,5,6,6,7,7,7-Heptafluorohept-3-ene
CID 138396277
1,1,1,2,2,3,3-Heptafluorooct-4-ene
CID 138396278
3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
(6E)-9,9,9-trifluoro-2,6-dimethylnona-2,6-diene
CID 12519453
5,5-Difluoro-2-methylpent-2-ene
CID 14092768
5,5,5-Trifluoro-2-methylpent-2-ene
CID 53930878

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,6-pentafluoro-2-methylhex-2-ene?
The IUPAC name of 5,5,6,6,6-pentafluoro-2-methylhex-2-ene (CID 86128587) is 5,5,6,6,6-pentafluoro-2-methylhex-2-ene.
What is the SMILES notation for 5,5,6,6,6-pentafluoro-2-methylhex-2-ene?
The canonical SMILES for 5,5,6,6,6-pentafluoro-2-methylhex-2-ene is CC(C)=CCC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,6-pentafluoro-2-methylhex-2-ene?
The InChIKey is RJZFNVWCVXHEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5/c1-5(2)3-4-6(8,9)7(10,11)12/h3H,4H2,1-2H3.
What are the key properties of 5,5,6,6,6-pentafluoro-2-methylhex-2-ene?
5,5,6,6,6-pentafluoro-2-methylhex-2-ene has a molecular weight of 188.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,6-pentafluoro-2-methylhex-2-ene is sourced from PubChem (CID 86128587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).