8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene

C12H5Cl5F14 — CID 154407193

IUPAC8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene
SMILESFC(F)=C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(Cl)C(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C12H5Cl5F14/c13-2(1-7(15,16)22)4(14)8(17,23)10(26,27)12(30,31)11(28,29)9(24,25)5(19)3(18)6(20)21/h2,4-5H,1H2
InChIKeyXFRFGEZYDGTBDQ-UHFFFAOYSA-N
MW592.41 g/mol
LogP8.55
Rot. Bonds10

About 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene

8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene (PubChem CID 154407193) has the molecular formula C12H5Cl5F14 and a molecular weight of 592.41 g/mol. Its IUPAC name is 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene.

Molecular Properties

Compound Name8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene
PubChem CID154407193
Molecular FormulaC12H5Cl5F14
Molecular Weight592.41 g/mol
Exact Mass589.86
IUPAC Name8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene
SMILESFC(F)=C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(Cl)C(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C12H5Cl5F14/c13-2(1-7(15,16)22)4(14)8(17,23)10(26,27)12(30,31)11(28,29)9(24,25)5(19)3(18)6(20)21/h2,4-5H,1H2
InChIKeyXFRFGEZYDGTBDQ-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.41
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 21096848
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid
CID 163323974
2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene
CID 154411564
4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene
CID 19781249
1,1,2,2,3,3,4,5,6,7,7,7-dodecafluorohept-5-ene-1-sulfonic acid
CID 165362882
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
CID 18915995
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
CID 57001137
(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
CID 98118080
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane
CID 173413078
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444

Frequently Asked Questions

What is the IUPAC name of 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene?
The IUPAC name of 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene (CID 154407193) is 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene.
What is the SMILES notation for 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene?
The canonical SMILES for 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene is FC(F)=C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(Cl)C(Cl)CC(F)(Cl)Cl.
What is the InChIKey of 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene?
The InChIKey is XFRFGEZYDGTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5F14/c13-2(1-7(15,16)22)4(14)8(17,23)10(26,27)12(30,31)11(28,29)9(24,25)5(19)3(18)6(20)21/h2,4-5H,1H2.
What are the key properties of 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene?
8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene has a molecular weight of 592.41 g/mol, XLogP of 8.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,12,12-pentachloro-1,1,2,3,4,4,5,5,6,6,7,7,8,12-tetradecafluorododec-1-ene is sourced from PubChem (CID 154407193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).