[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane

C15H14F13I — CID 154711779

IUPAC[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/C(I)=C/C1CCCCC1
InChIInChI=1S/C15H14F13I/c16-10(17,7-9(29)6-8-4-2-1-3-5-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h6,8H,1-5,7H2/b9-6-
InChIKeyNMGBRKPQPKOFDF-TWGQIWQCSA-N
MW568.15 g/mol
LogP8.01
Rot. Bonds7

About [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane

[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane (PubChem CID 154711779) has the molecular formula C15H14F13I and a molecular weight of 568.15 g/mol. Its IUPAC name is [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane
PubChem CID154711779
Molecular FormulaC15H14F13I
Molecular Weight568.15 g/mol
Exact Mass567.99
IUPAC Name[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/C(I)=C/C1CCCCC1
InChIInChI=1S/C15H14F13I/c16-10(17,7-9(29)6-8-4-2-1-3-5-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h6,8H,1-5,7H2/b9-6-
InChIKeyNMGBRKPQPKOFDF-TWGQIWQCSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.15
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane with MolForge

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Related Compounds

[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
4-(3,4,4,5,5,6,6,6-Octafluoro-3-iodohexan-2-yl)cyclohexene
CID 20029275
3-(1,1,2,3,3,3-Hexafluoropropyl)cyclohex-1-ene
CID 21486071
4-(3,3,4,4,5,5,6,6,6-Nonafluoro-2-iodohexan-2-yl)cyclohexene
CID 21682616
1-Ethenyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 54410794
4-(1,1,1,3,3,4,4,5,5,6,6,6-Dodecafluoro-2-iodohexan-2-yl)cyclohexene
CID 88618808
6-(1,1-Difluoroethyl)-5-ethyl-1-iodocyclohexene
CID 89864984
1-(1,1-Difluoroprop-2-enyl)-4-iodocyclohexane
CID 129014367
cis-(1R,2S)-1-[difluoro(iodo)methyl]-2-[(E)-pent-2-en-2-yl]cyclohexane
CID 138530018

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane?
The IUPAC name of [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane (CID 154711779) is [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/C(I)=C/C1CCCCC1.
What is the InChIKey of [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane?
The InChIKey is NMGBRKPQPKOFDF-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H14F13I/c16-10(17,7-9(29)6-8-4-2-1-3-5-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h6,8H,1-5,7H2/b9-6-.
What are the key properties of [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane?
[(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane has a molecular weight of 568.15 g/mol, XLogP of 8.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodonon-1-enyl]cyclohexane is sourced from PubChem (CID 154711779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).