1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene

C9H13F5 — CID 57163273

IUPAC1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene
SMILESFCC(CF)(CF)CC=CCC(F)F
InChIInChI=1S/C9H13F5/c10-5-9(6-11,7-12)4-2-1-3-8(13)14/h1-2,8H,3-7H2
InChIKeyWWSQFVQVWDFWPU-UHFFFAOYSA-N
MW216.19 g/mol
LogP3.48
Rot. Bonds7

About 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene

1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene (PubChem CID 57163273) has the molecular formula C9H13F5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene.

Molecular Properties

Compound Name1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene
PubChem CID57163273
Molecular FormulaC9H13F5
Molecular Weight216.19 g/mol
Exact Mass216.09
IUPAC Name1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene
SMILESFCC(CF)(CF)CC=CCC(F)F
InChIInChI=1S/C9H13F5/c10-5-9(6-11,7-12)4-2-1-3-8(13)14/h1-2,8H,3-7H2
InChIKeyWWSQFVQVWDFWPU-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)octa-1,3-diene
CID 91972108
1,1,1,2,2,3,3,4-Octafluoro-7,7-dimethyloct-4-ene
CID 71429345
6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)-1,3-octadiene
CID 122360969
trans-1,1,1,7,7,8,8,9,9,9-Decafluoro-2,6,6-tris(trifluoromethyl)-4-nonene
CID 12672278
trans-4,4-Bis (trifluoromethyl)-5,5,6,6,7,7,7-heptafluoro-2-heptene
CID 23261337
(E)-1,1,1,7,7,7-hexafluoro-2,2,6,6-tetrakis(trifluoromethyl)hept-3-ene
CID 14091757
CID 2759269
CID 2759269
1,1,1,2,2,3-Hexafluoro-3-(trifluoromethyl)non-4-ene
CID 5706482
5-Ethenyl-6,6-difluoro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 18546423
1,3,4,6-Tetramethyl-3,6-bis(trifluoromethyl)cyclohexa-1,4-diene
CID 18795048
1,1,2,2-Tetrafluoro-3-methyl-3-prop-1-enylcyclobutane
CID 53924795
(E)-1-fluoro-5,5-dimethylhex-2-ene
CID 54161061

Frequently Asked Questions

What is the IUPAC name of 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene?
The IUPAC name of 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene (CID 57163273) is 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene.
What is the SMILES notation for 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene?
The canonical SMILES for 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene is FCC(CF)(CF)CC=CCC(F)F.
What is the InChIKey of 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene?
The InChIKey is WWSQFVQVWDFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5/c10-5-9(6-11,7-12)4-2-1-3-8(13)14/h1-2,8H,3-7H2.
What are the key properties of 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene?
1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene has a molecular weight of 216.19 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7-trifluoro-6,6-bis(fluoromethyl)hept-3-ene is sourced from PubChem (CID 57163273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).