1,1,2-trifluorododec-1-ene

C12H21F3 — CID 14675643

IUPAC1,1,2-trifluorododec-1-ene
SMILESCCCCCCCCCCC(F)=C(F)F
InChIInChI=1S/C12H21F3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3
InChIKeyWKQWABWEWKPEHF-UHFFFAOYSA-N
MW222.29 g/mol
LogP5.59
Rot. Bonds9

About 1,1,2-trifluorododec-1-ene

1,1,2-trifluorododec-1-ene (PubChem CID 14675643) has the molecular formula C12H21F3 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,1,2-trifluorododec-1-ene.

Molecular Properties

Compound Name1,1,2-trifluorododec-1-ene
PubChem CID14675643
Molecular FormulaC12H21F3
Molecular Weight222.29 g/mol
Exact Mass222.16
IUPAC Name1,1,2-trifluorododec-1-ene
SMILESCCCCCCCCCCC(F)=C(F)F
InChIInChI=1S/C12H21F3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3
InChIKeyWKQWABWEWKPEHF-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.29
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluorododec-1-ene?
The IUPAC name of 1,1,2-trifluorododec-1-ene (CID 14675643) is 1,1,2-trifluorododec-1-ene.
What is the SMILES notation for 1,1,2-trifluorododec-1-ene?
The canonical SMILES for 1,1,2-trifluorododec-1-ene is CCCCCCCCCCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluorododec-1-ene?
The InChIKey is WKQWABWEWKPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3.
What are the key properties of 1,1,2-trifluorododec-1-ene?
1,1,2-trifluorododec-1-ene has a molecular weight of 222.29 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorododec-1-ene is sourced from PubChem (CID 14675643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).