1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene

C9H5F13 — CID 150641531

IUPAC1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C9H5F13/c10-2-1-6(15,16)8(19,9(20,21)22)7(17,18)4(12)3(11)5(13)14/h4H,1-2H2
InChIKeyIZZZHHIDDJPVFO-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.30
Rot. Bonds6

About 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene

1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene (PubChem CID 150641531) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene
PubChem CID150641531
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C9H5F13/c10-2-1-6(15,16)8(19,9(20,21)22)7(17,18)4(12)3(11)5(13)14/h4H,1-2H2
InChIKeyIZZZHHIDDJPVFO-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
CID 19961274
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-trimethylhex-1-ene
CID 22016472
4-(2,2-Difluoroethenyl)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(trifluoromethyl)heptane
CID 58915554
1,1,2,5,6,6,6-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
CID 58915578
1,1,1,2,6,7,7,7-Octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
CID 58915583
3,3,4,4,5,5,6-Heptafluoro-6-(1,1,2,2,2-pentafluoroethyl)octa-1,7-diene
CID 87422931
1,1,2,3,3,5,5,6,6,7,7,7-Dodecafluoro-4-(fluoromethyl)-4-methylhept-1-ene
CID 87932029
1,1,2,5,6,6,6-Heptafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
CID 88590965
(Z)-3-(1,2-difluoroethyl)-1,2,3,4,5,6-hexafluorohex-1-ene
CID 121288782
1,1,3,3,5,5,7,7,9,10,10,11,11,11-Tetradecafluoro-9-(trifluoromethyl)undec-1-ene
CID 139624037
1,1,3,4,4,5,6,6,7,7,8,8,8-Tridecafluoro-5-(trifluoromethyl)oct-1-ene
CID 139835421
4-(Difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane
CID 143700246

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene?
The IUPAC name of 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene (CID 150641531) is 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene is FCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene?
The InChIKey is IZZZHHIDDJPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13/c10-2-1-6(15,16)8(19,9(20,21)22)7(17,18)4(12)3(11)5(13)14/h4H,1-2H2.
What are the key properties of 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene?
1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene has a molecular weight of 360.11 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,6,8-decafluoro-5-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 150641531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).