1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane

C11H13F9 — CID 88590926

IUPAC1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane
SMILESC=C(F)C(CC(C)(F)C(F)(F)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C11H13F9/c1-6(12)7(4-8(2,13)10(15,16)17)5-9(3,14)11(18,19)20/h7H,1,4-5H2,2-3H3
InChIKeyPFLZAPNTBIFPJI-UHFFFAOYSA-N
MW316.21 g/mol
LogP5.45
Rot. Bonds5

About 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane

1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane (PubChem CID 88590926) has the molecular formula C11H13F9 and a molecular weight of 316.21 g/mol. Its IUPAC name is 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane
PubChem CID88590926
Molecular FormulaC11H13F9
Molecular Weight316.21 g/mol
Exact Mass316.09
IUPAC Name1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane
SMILESC=C(F)C(CC(C)(F)C(F)(F)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C11H13F9/c1-6(12)7(4-8(2,13)10(15,16)17)5-9(3,14)11(18,19)20/h7H,1,4-5H2,2-3H3
InChIKeyPFLZAPNTBIFPJI-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.21
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-3-methyl-10-(trifluoromethyl)undec-1-ene
CID 12045648
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-Hexacosafluoro-8-prop-2-enylpentadecane
CID 162538604
5-Ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
CID 19760605
12,12,13,13,13-Pentafluoro-8-methyltridec-1-ene
CID 20579541
13,13,14,14,14-Pentafluoro-8-methyltetradec-1-ene
CID 20579542
13,13,14,14,14-Pentafluoro-9-methyltetradec-1-ene
CID 20579543
14,14,15,15,15-Pentafluoro-8-methylpentadec-1-ene
CID 20579544
14,14,15,15,15-Pentafluoro-9-methylpentadec-1-ene
CID 20579546
15,15,16,16,16-Pentafluoro-8-methylhexadec-1-ene
CID 20579547
15,15,16,16,16-Pentafluoro-9-methylhexadec-1-ene
CID 20579548
16,16,17,17,17-Pentafluoro-9-methylheptadec-1-ene
CID 20579549
1,1,1,2-Tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane
CID 23190442

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane?
The IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane (CID 88590926) is 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane.
What is the SMILES notation for 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane?
The canonical SMILES for 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane is C=C(F)C(CC(C)(F)C(F)(F)F)CC(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane?
The InChIKey is PFLZAPNTBIFPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9/c1-6(12)7(4-8(2,13)10(15,16)17)5-9(3,14)11(18,19)20/h7H,1,4-5H2,2-3H3.
What are the key properties of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane?
1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane has a molecular weight of 316.21 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane is sourced from PubChem (CID 88590926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).