(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene

C16H15F17 — CID 58419060

IUPAC(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
SMILESCC(F)(CC(F)(F)CC(F)(F)CC(CC(/C=C\C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3/b3-2-
InChIKeyUGYHLIWQAUKLMH-IHWYPQMZSA-N
MW530.26 g/mol
LogP8.58
Rot. Bonds9

About (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene

(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene (PubChem CID 58419060) has the molecular formula C16H15F17 and a molecular weight of 530.26 g/mol. Its IUPAC name is (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
PubChem CID58419060
Molecular FormulaC16H15F17
Molecular Weight530.26 g/mol
Exact Mass530.09
IUPAC Name(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
SMILESCC(F)(CC(F)(F)CC(F)(F)CC(CC(/C=C\C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3/b3-2-
InChIKeyUGYHLIWQAUKLMH-IHWYPQMZSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.26
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene with MolForge

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Related Compounds

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CID 87159227
1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium
CID 157244986
8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
CID 89292991
1,1,1,2,4,4,6,6,13,13,13-undecafluoro-12-iodo-2,8,10-tris(trifluoromethyl)tridecane
CID 59721653
carboxymethyl-dimethyl-[3-[[9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradecyl]sulfonylamino]propyl]azanium
CID 58419012
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-thiol
CID 59721655
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride
CID 59721658
1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
CID 141171044
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 91535959
4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
CID 58292446
(Z)-1,1,1-trifluoro-5-methylhex-2-ene
CID 176664146

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The IUPAC name of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene (CID 58419060) is (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene.
What is the SMILES notation for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The canonical SMILES for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene is CC(F)(CC(F)(F)CC(F)(F)CC(CC(/C=C\C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The InChIKey is UGYHLIWQAUKLMH-IHWYPQMZSA-N. The full InChI is InChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3/b3-2-.
What are the key properties of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene has a molecular weight of 530.26 g/mol, XLogP of 8.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene is sourced from PubChem (CID 58419060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).