6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene

C17H15F13 — CID 162538587

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCc1ccccc1
InChIInChI=1S/C17H15F13/c18-12(19,10-6-2-5-9-11-7-3-1-4-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyIRASZGNZVBGDPN-UHFFFAOYSA-N
MW466.28 g/mol
LogP7.53
Rot. Bonds10

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene (PubChem CID 162538587) has the molecular formula C17H15F13 and a molecular weight of 466.28 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene
PubChem CID162538587
Molecular FormulaC17H15F13
Molecular Weight466.28 g/mol
Exact Mass466.10
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCc1ccccc1
InChIInChI=1S/C17H15F13/c18-12(19,10-6-2-5-9-11-7-3-1-4-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyIRASZGNZVBGDPN-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.28
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosafluorotetradecyl)-4-iodobenzene
CID 162538584
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-17-phenylheptadecyl)thiirane
CID 59817062
N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine
CID 10653679
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzoic acid
CID 25227838
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluoro-6-(2-phenylethyl)tridecane-1,6-diol
CID 162348412
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
CID 162347931
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxybenzene
CID 86232636
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene (CID 162538587) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCc1ccccc1.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene?
The InChIKey is IRASZGNZVBGDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F13/c18-12(19,10-6-2-5-9-11-7-3-1-4-8-11)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene has a molecular weight of 466.28 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene is sourced from PubChem (CID 162538587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).