14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene

C16H27F5 — CID 20579544

IUPAC14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
SMILESC=CCCCCCC(C)CCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H27F5/c1-3-4-5-6-8-11-14(2)12-9-7-10-13-15(17,18)16(19,20)21/h3,14H,1,4-13H2,2H3
InChIKeyNEVHTJRBFNJFOP-UHFFFAOYSA-N
MW314.38 g/mol
LogP6.91
Rot. Bonds12

About 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene

14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene (PubChem CID 20579544) has the molecular formula C16H27F5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene.

Molecular Properties

Compound Name14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
PubChem CID20579544
Molecular FormulaC16H27F5
Molecular Weight314.38 g/mol
Exact Mass314.20
IUPAC Name14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
SMILESC=CCCCCCC(C)CCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C16H27F5/c1-3-4-5-6-8-11-14(2)12-9-7-10-13-15(17,18)16(19,20)21/h3,14H,1,4-13H2,2H3
InChIKeyNEVHTJRBFNJFOP-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 56.91
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

12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
CID 20579541
ethane;1,1,1,2,2-pentafluoro-6-methyltetradec-13-en-7-one
CID 91073069
8-methylnonadec-1-ene
CID 90877384
13-methylhexadec-1-ene
CID 71373615
ethyl 2-(4,4,5,5,5-pentafluoropentyl)dec-9-enoate
CID 12043786
14,18,22-trimethylpentacos-1-ene
CID 91259502
11-methyltridec-1-ene
CID 528465
7-methylundec-1-ene
CID 522554
14-methylhexadec-1-ene
CID 86185732
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-1-ene
CID 88655212
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
12,12,13,13,13-pentafluorotridecanal
CID 14675646

Frequently Asked Questions

What is the IUPAC name of 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene?
The IUPAC name of 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene (CID 20579544) is 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene.
What is the SMILES notation for 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene?
The canonical SMILES for 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene is C=CCCCCCC(C)CCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene?
The InChIKey is NEVHTJRBFNJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F5/c1-3-4-5-6-8-11-14(2)12-9-7-10-13-15(17,18)16(19,20)21/h3,14H,1,4-13H2,2H3.
What are the key properties of 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene?
14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene has a molecular weight of 314.38 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene is sourced from PubChem (CID 20579544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).