10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene

C11H7F14N3 — CID 19768122

IUPAC10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN=[N+]=[N-])C(F)(F)F
InChIInChI=1S/C11H7F14N3/c1-2-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(12,11(23,24)25)3-4-27-28-26/h2H,1,3-4H2
InChIKeyGNKJNBNLINEVNP-UHFFFAOYSA-N
MW447.17 g/mol
LogP6.32
Rot. Bonds9

About 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene

10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene (PubChem CID 19768122) has the molecular formula C11H7F14N3 and a molecular weight of 447.17 g/mol. Its IUPAC name is 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene
PubChem CID19768122
Molecular FormulaC11H7F14N3
Molecular Weight447.17 g/mol
Exact Mass447.04
IUPAC Name10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN=[N+]=[N-])C(F)(F)F
InChIInChI=1S/C11H7F14N3/c1-2-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(12,11(23,24)25)3-4-27-28-26/h2H,1,3-4H2
InChIKeyGNKJNBNLINEVNP-UHFFFAOYSA-N
XLogP6.32
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.17
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 87731254
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
CID 19913308
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CID 162536028
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CID 10923361
2-(2-azidoethyl)-2-prop-1-enylpropanedinitrile
CID 71377593
(15E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoroheptadeca-1,15-diene
CID 89419263
6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 150637260
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane
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Frequently Asked Questions

What is the IUPAC name of 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene?
The IUPAC name of 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene (CID 19768122) is 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(CCN=[N+]=[N-])C(F)(F)F.
What is the InChIKey of 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene?
The InChIKey is GNKJNBNLINEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F14N3/c1-2-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(12,11(23,24)25)3-4-27-28-26/h2H,1,3-4H2.
What are the key properties of 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene?
10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene has a molecular weight of 447.17 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 19768122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).