12,12,13,13,13-pentafluoro-8-methyltridec-1-ene

C14H23F5 — CID 20579541

IUPAC12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
SMILESC=CCCCCCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5/c1-3-4-5-6-7-9-12(2)10-8-11-13(15,16)14(17,18)19/h3,12H,1,4-11H2,2H3
InChIKeyYHYUSHFFJMLHIK-UHFFFAOYSA-N
MW286.33 g/mol
LogP6.13
Rot. Bonds10

About 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene

12,12,13,13,13-pentafluoro-8-methyltridec-1-ene (PubChem CID 20579541) has the molecular formula C14H23F5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene.

Molecular Properties

Compound Name12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
PubChem CID20579541
Molecular FormulaC14H23F5
Molecular Weight286.33 g/mol
Exact Mass286.17
IUPAC Name12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
SMILESC=CCCCCCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5/c1-3-4-5-6-7-9-12(2)10-8-11-13(15,16)14(17,18)19/h3,12H,1,4-11H2,2H3
InChIKeyYHYUSHFFJMLHIK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
CID 20579544
ethane;1,1,1,2,2-pentafluoro-6-methyltetradec-13-en-7-one
CID 91073069
ethyl 2-(4,4,5,5,5-pentafluoropentyl)dec-9-enoate
CID 12043786
8-methylnonadec-1-ene
CID 90877384
13-methylhexadec-1-ene
CID 71373615
14,18,22-trimethylpentacos-1-ene
CID 91259502
14-methylhexadec-1-ene
CID 86185732
7-methylundec-1-ene
CID 522554
11-methyltridec-1-ene
CID 528465
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene?
The IUPAC name of 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene (CID 20579541) is 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene.
What is the SMILES notation for 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene?
The canonical SMILES for 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene is C=CCCCCCC(C)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene?
The InChIKey is YHYUSHFFJMLHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F5/c1-3-4-5-6-7-9-12(2)10-8-11-13(15,16)14(17,18)19/h3,12H,1,4-11H2,2H3.
What are the key properties of 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene?
12,12,13,13,13-pentafluoro-8-methyltridec-1-ene has a molecular weight of 286.33 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,13-pentafluoro-8-methyltridec-1-ene is sourced from PubChem (CID 20579541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).