7,7,8,9,10,10-hexafluorodec-9-enoic acid

C10H12F6O2 — CID 20527954

IUPAC7,7,8,9,10,10-hexafluorodec-9-enoic acid
SMILESO=C(O)CCCCCC(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C10H12F6O2/c11-7(9(13)14)8(12)10(15,16)5-3-1-2-4-6(17)18/h8H,1-5H2,(H,17,18)
InChIKeyIIMPXKHXEGFRRR-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.07
Rot. Bonds8

About 7,7,8,9,10,10-hexafluorodec-9-enoic acid

7,7,8,9,10,10-hexafluorodec-9-enoic acid (PubChem CID 20527954) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 7,7,8,9,10,10-hexafluorodec-9-enoic acid.

Molecular Properties

Compound Name7,7,8,9,10,10-hexafluorodec-9-enoic acid
PubChem CID20527954
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name7,7,8,9,10,10-hexafluorodec-9-enoic acid
SMILESO=C(O)CCCCCC(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C10H12F6O2/c11-7(9(13)14)8(12)10(15,16)5-3-1-2-4-6(17)18/h8H,1-5H2,(H,17,18)
InChIKeyIIMPXKHXEGFRRR-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecanoic acid
CID 2783376
2H,2H,3H,3H-Perfluorooctanoic acid
CID 14632790
2H,2H,3H,3H-Perfluorononanoic acid
CID 2776244
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid
CID 2782413
mHPFLCA n=5
CID 139594787
dPFLCA_n_1, n=6
CID 139595101
dPFLCA_n_1, n=9
CID 139595577
mHPFLCA n=4
CID 139595709
mHPFLCA n=3
CID 139595757
dPFLCA_n_1, n=8
CID 139596024
dPFLCA_n_1, n=10
CID 139596087
mHPFLCA n=6
CID 139596906

Frequently Asked Questions

What is the IUPAC name of 7,7,8,9,10,10-hexafluorodec-9-enoic acid?
The IUPAC name of 7,7,8,9,10,10-hexafluorodec-9-enoic acid (CID 20527954) is 7,7,8,9,10,10-hexafluorodec-9-enoic acid.
What is the SMILES notation for 7,7,8,9,10,10-hexafluorodec-9-enoic acid?
The canonical SMILES for 7,7,8,9,10,10-hexafluorodec-9-enoic acid is O=C(O)CCCCCC(F)(F)C(F)C(F)=C(F)F.
What is the InChIKey of 7,7,8,9,10,10-hexafluorodec-9-enoic acid?
The InChIKey is IIMPXKHXEGFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c11-7(9(13)14)8(12)10(15,16)5-3-1-2-4-6(17)18/h8H,1-5H2,(H,17,18).
What are the key properties of 7,7,8,9,10,10-hexafluorodec-9-enoic acid?
7,7,8,9,10,10-hexafluorodec-9-enoic acid has a molecular weight of 278.19 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,9,10,10-hexafluorodec-9-enoic acid is sourced from PubChem (CID 20527954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).