6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one

C13H7F17O — CID 10918122

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one
SMILESC=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H7F17O/c1-2-3-4-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2
InChIKeyYUGITSKYBLZGKP-UHFFFAOYSA-N
MW502.16 g/mol
LogP6.53
Rot. Bonds10

About 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one

6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one (PubChem CID 10918122) has the molecular formula C13H7F17O and a molecular weight of 502.16 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one
PubChem CID10918122
Molecular FormulaC13H7F17O
Molecular Weight502.16 g/mol
Exact Mass502.02
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one
SMILESC=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H7F17O/c1-2-3-4-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2
InChIKeyYUGITSKYBLZGKP-UHFFFAOYSA-N
XLogP6.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.16
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluorooct-7-ene-2,4-dione
CID 14573424
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-1-en-4-one
CID 102001690
1,1,1-Trifluoroundec-10-en-2-one
CID 71485099
1,1,1-Trifluorotridec-12-en-2-one
CID 11322666
1,1,1,2,2,3,3-Heptafluorooct-7-en-4-one
CID 14112670
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentadecafluorododec-1-en-5-one
CID 14112690
4,4-Difluorotrideca-1,2-dien-6-one
CID 168301382
3,3,4,4-Tetrafluorododec-1-en-5-one
CID 178341188
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundec-1-en-5-one
CID 14973850
1,1-Difluoronon-1-en-4-one
CID 15651616
Methyl 10,10-difluoro-9-decenyl ketone
CID 19915358
1,1,1,2,2-Pentafluorotetradec-13-en-6-one
CID 22033192

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one (CID 10918122) is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one is C=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one?
The InChIKey is YUGITSKYBLZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F17O/c1-2-3-4-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one?
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one has a molecular weight of 502.16 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridec-1-en-5-one is sourced from PubChem (CID 10918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).