1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene

C11H16F6 — CID 123613644

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
SMILESCCCCCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6/c1-2-3-4-5-6-7-8-9(10(12,13)14)11(15,16)17/h8H,2-7H2,1H3
InChIKeyHPJDXHBRBMRLJL-UHFFFAOYSA-N
MW262.24 g/mol
LogP5.40
Rot. Bonds6

About 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene

1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene (PubChem CID 123613644) has the molecular formula C11H16F6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
PubChem CID123613644
Molecular FormulaC11H16F6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
SMILESCCCCCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6/c1-2-3-4-5-6-7-8-9(10(12,13)14)11(15,16)17/h8H,2-7H2,1H3
InChIKeyHPJDXHBRBMRLJL-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.24
LogP ≤ 55.40
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'}

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Related Compounds

undec-1-ene-1,1-diol
CID 87556705
[(E)-1,1,1-trifluorododec-2-en-2-yl] acetate
CID 11369498
[(E)-1,1,1-trifluorodec-2-en-2-yl] acetate
CID 177488051
1,1-dibromotridec-1-ene
CID 14681915
tricos-1-ene-1,1-diamine
CID 141373485
1,1-diiodonon-1-ene
CID 141002826
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
1-sulfanyltetradec-1-en-1-ol
CID 175360116
3-methyloctadec-3-ene
CID 91073568

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene (CID 123613644) is 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene is CCCCCCCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene?
The InChIKey is HPJDXHBRBMRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6/c1-2-3-4-5-6-7-8-9(10(12,13)14)11(15,16)17/h8H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene?
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene has a molecular weight of 262.24 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene is sourced from PubChem (CID 123613644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).