1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene

C10H12F8 — CID 141171044

IUPAC1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
SMILESCCCCC(C=CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F8/c1-2-3-4-7(9(13,14)15)5-6-8(11,12)10(16,17)18/h5-7H,2-4H2,1H3
InChIKeySZBBZYWXNQGOJI-UHFFFAOYSA-N
MW284.19 g/mol
LogP5.11
Rot. Bonds5

About 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene

1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene (PubChem CID 141171044) has the molecular formula C10H12F8 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
PubChem CID141171044
Molecular FormulaC10H12F8
Molecular Weight284.19 g/mol
Exact Mass284.08
IUPAC Name1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
SMILESCCCCC(C=CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F8/c1-2-3-4-7(9(13,14)15)5-6-8(11,12)10(16,17)18/h5-7H,2-4H2,1H3
InChIKeySZBBZYWXNQGOJI-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.19
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-(trifluoromethyl)dec-4-ene
CID 101032787
3-(trifluoromethyl)hept-1-enyl phosphate
CID 154268729
2-(trifluoromethyl)nonanal
CID 85157454
[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene
CID 15311806
[(E,1S)-1-(methoxymethoxy)-4-(trifluoromethyl)oct-2-enyl]benzene
CID 102104350
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
1,1,1-trifluorohexan-2-amine
CID 50998628
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
(E)-5,8-dichlorododec-6-ene
CID 87576727
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene?
The IUPAC name of 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene (CID 141171044) is 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene?
The canonical SMILES for 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene is CCCCC(C=CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene?
The InChIKey is SZBBZYWXNQGOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8/c1-2-3-4-7(9(13,14)15)5-6-8(11,12)10(16,17)18/h5-7H,2-4H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene?
1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene has a molecular weight of 284.19 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene is sourced from PubChem (CID 141171044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).