1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene

C10H3F17 — CID 18359529

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C10H3F17/c1-4(14,15)6(18,19)8(22,23)10(26,27)9(24,25)7(20,21)5(16,17)2(11)3(12)13/h1H3
InChIKeyDJMPBIYPJHYWEE-UHFFFAOYSA-N
MW446.10 g/mol
LogP6.53
Rot. Bonds7

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene (PubChem CID 18359529) has the molecular formula C10H3F17 and a molecular weight of 446.10 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene
PubChem CID18359529
Molecular FormulaC10H3F17
Molecular Weight446.10 g/mol
Exact Mass446.00
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C10H3F17/c1-4(14,15)6(18,19)8(22,23)10(26,27)9(24,25)7(20,21)5(16,17)2(11)3(12)13/h1H3
InChIKeyDJMPBIYPJHYWEE-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.10
LogP ≤ 56.53
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

Perfluorodecene
CID 2782403
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tetracosafluorododec-1-ene
CID 14246820
Perfluoronon-1-ene
CID 3081944
1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12824723
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Hexacosafluorotridec-1-ene
CID 19107738
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Docosafluoroundec-1-ene
CID 89438352
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12835212
8-1 Olefin
CID 162345601
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Octacosafluoropentadec-1-ene
CID 162345377
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-Dotriacontafluoroheptadec-1-ene
CID 162345633
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundeca-1,2-diene
CID 14617677

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene (CID 18359529) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene?
The InChIKey is DJMPBIYPJHYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F17/c1-4(14,15)6(18,19)8(22,23)10(26,27)9(24,25)7(20,21)5(16,17)2(11)3(12)13/h1H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene has a molecular weight of 446.10 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorodec-1-ene is sourced from PubChem (CID 18359529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).