13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene

C15H25F5 — CID 20579543

IUPAC13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene
SMILESC=CCCCCCCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(16,17)15(18,19)20/h3,13H,1,4-12H2,2H3
InChIKeyAOOMTFWZPPNHKL-UHFFFAOYSA-N
MW300.36 g/mol
LogP6.52
Rot. Bonds11

About 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene

13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene (PubChem CID 20579543) has the molecular formula C15H25F5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene.

Molecular Properties

Compound Name13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene
PubChem CID20579543
Molecular FormulaC15H25F5
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene
SMILESC=CCCCCCCC(C)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(16,17)15(18,19)20/h3,13H,1,4-12H2,2H3
InChIKeyAOOMTFWZPPNHKL-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 56.52
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

8-Methyldec-1-ene
CID 521957
4,6,8-Trimethyl-1-nonene
CID 41077
8-Methyl-1-undecene
CID 522552
7-Methyl-1-undecene
CID 522554
4-Methyl-1-decene
CID 518719
5-Methyl-1-undecene
CID 522550
4-Methyl-1-undecene
CID 522551
7-Methyl-1-nonene
CID 527475
5-Methyldec-1-ene
CID 543820
1-Nonene, 4,8-dimethyl
CID 528453
3,7,11-Trimethyl-1-dodecene
CID 528443
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788

Frequently Asked Questions

What is the IUPAC name of 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene?
The IUPAC name of 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene (CID 20579543) is 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene.
What is the SMILES notation for 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene?
The canonical SMILES for 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene is C=CCCCCCCC(C)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene?
The InChIKey is AOOMTFWZPPNHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(16,17)15(18,19)20/h3,13H,1,4-12H2,2H3.
What are the key properties of 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene?
13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene has a molecular weight of 300.36 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,14,14,14-pentafluoro-9-methyltetradec-1-ene is sourced from PubChem (CID 20579543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).