1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene

C9F18 — CID 174637309

IUPAC1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27
InChIKeyDUHLPDAURGHLJK-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.44
Rot. Bonds5

About 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene

1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene (PubChem CID 174637309) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene
PubChem CID174637309
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F18/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27
InChIKeyDUHLPDAURGHLJK-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.44
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

4-(Difluoromethylidene)-1,1,1,2,2,3,6,6,7,7,7-undecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
CID 12872782
Perfluoroisononene
CID 129816778
Perfluorotributylpropylene
CID 129818805
4-(Difluoromethylidene)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)-3,5-bis(trifluoromethyl)heptane
CID 134874191
4-(Difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
CID 12708030
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane
CID 54519398
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
CID 88455021
1,1,2,3,4,4,5,6,7,7-Decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene
CID 91449769
1,1,2,3,4,5,5,5-Octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-1-ene
CID 141425308
1,1,1,2,2,3,3,4,4,5,6,8,8,8-Tetradecafluoro-5-(1,2,2-trifluoroethenyl)octane
CID 145590568
1,1,2,3,4,4,5,6,6,8-Decafluoro-5-(trifluoromethyl)oct-1-ene
CID 150641531

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene (CID 174637309) is 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene?
The InChIKey is DUHLPDAURGHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-1(2(11)12)3(13,14)5(16,17)4(15,8(22,23)24)6(18,19)7(20,21)9(25,26)27.
What are the key properties of 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene?
1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene has a molecular weight of 450.06 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,6,6,7,7,8,8,8-pentadecafluoro-5-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 174637309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).