15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene

C17H29F5 — CID 20579548

IUPAC15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene
SMILESC=CCCCCCCC(C)CCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C17H29F5/c1-3-4-5-6-7-9-12-15(2)13-10-8-11-14-16(18,19)17(20,21)22/h3,15H,1,4-14H2,2H3
InChIKeyLWIWCWXDDFBLKH-UHFFFAOYSA-N
MW328.41 g/mol
LogP7.30
Rot. Bonds13

About 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene

15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene (PubChem CID 20579548) has the molecular formula C17H29F5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene.

Molecular Properties

Compound Name15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene
PubChem CID20579548
Molecular FormulaC17H29F5
Molecular Weight328.41 g/mol
Exact Mass328.22
IUPAC Name15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene
SMILESC=CCCCCCCC(C)CCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C17H29F5/c1-3-4-5-6-7-9-12-15(2)13-10-8-11-14-16(18,19)17(20,21)22/h3,15H,1,4-14H2,2H3
InChIKeyLWIWCWXDDFBLKH-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 57.30
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

6-(1-Fluoroethenyl)dodec-1-ene
CID 134853382
(Z)-9,9-difluoro-2-methyloctadec-7-ene
CID 10266938
(Z)-6,6-difluoro-2-methyloctadec-7-ene
CID 10470205
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-3-methyl-10-(trifluoromethyl)undec-1-ene
CID 12045648
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
4-Ethenyl-2-methyl-4-(trifluoromethyl)dodecane
CID 71419704
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-Hexacosafluoro-8-prop-2-enylpentadecane
CID 162538604
5-Ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
CID 19760605
12,12,13,13,13-Pentafluoro-8-methyltridec-1-ene
CID 20579541
13,13,14,14,14-Pentafluoro-8-methyltetradec-1-ene
CID 20579542
13,13,14,14,14-Pentafluoro-9-methyltetradec-1-ene
CID 20579543
14,14,15,15,15-Pentafluoro-8-methylpentadec-1-ene
CID 20579544

Frequently Asked Questions

What is the IUPAC name of 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene?
The IUPAC name of 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene (CID 20579548) is 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene.
What is the SMILES notation for 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene?
The canonical SMILES for 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene is C=CCCCCCCC(C)CCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene?
The InChIKey is LWIWCWXDDFBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F5/c1-3-4-5-6-7-9-12-15(2)13-10-8-11-14-16(18,19)17(20,21)22/h3,15H,1,4-14H2,2H3.
What are the key properties of 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene?
15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene has a molecular weight of 328.41 g/mol, XLogP of 7.30, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15,16,16,16-pentafluoro-9-methylhexadec-1-ene is sourced from PubChem (CID 20579548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).