10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene

C31H48F4 — CID 155382693

IUPAC10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene
SMILESCC=CC(C)(C=CC)CCC(C=CC)(C=CC)C(C=CC)(C=CC)CC(F)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C31H48F4/c1-11-17-27(10,18-12-2)23-24-28(19-13-3,20-14-4)29(21-15-5,22-16-6)25-30(32,26(7,8)9)31(33,34)35/h11-22H,23-25H2,1-10H3
InChIKeyBPPOSDPJIUYHLW-UHFFFAOYSA-N
MW496.72 g/mol
LogP10.91
Rot. Bonds12

About 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene

10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene (PubChem CID 155382693) has the molecular formula C31H48F4 and a molecular weight of 496.72 g/mol. Its IUPAC name is 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene.

Molecular Properties

Compound Name10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene
PubChem CID155382693
Molecular FormulaC31H48F4
Molecular Weight496.72 g/mol
Exact Mass496.37
IUPAC Name10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene
SMILESCC=CC(C)(C=CC)CCC(C=CC)(C=CC)C(C=CC)(C=CC)CC(F)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C31H48F4/c1-11-17-27(10,18-12-2)23-24-28(19-13-3,20-14-4)29(21-15-5,22-16-6)25-30(32,26(7,8)9)31(33,34)35/h11-22H,23-25H2,1-10H3
InChIKeyBPPOSDPJIUYHLW-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.72
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene?
The IUPAC name of 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene (CID 155382693) is 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene.
What is the SMILES notation for 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene?
The canonical SMILES for 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene is CC=CC(C)(C=CC)CCC(C=CC)(C=CC)C(C=CC)(C=CC)CC(F)(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene?
The InChIKey is BPPOSDPJIUYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48F4/c1-11-17-27(10,18-12-2)23-24-28(19-13-3,20-14-4)29(21-15-5,22-16-6)25-30(32,26(7,8)9)31(33,34)35/h11-22H,23-25H2,1-10H3.
What are the key properties of 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene?
10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene has a molecular weight of 496.72 g/mol, XLogP of 10.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-4,11,11-trimethyl-4,7,7,8,8-pentakis(prop-1-enyl)-10-(trifluoromethyl)dodec-2-ene is sourced from PubChem (CID 155382693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).