2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane

C12H9F15 — CID 172565321

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CCC1
InChIInChI=1S/C12H9F15/c13-6(14,4-5-2-1-3-5)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h5H,1-4H2
InChIKeyZFWLHVKRFZZTEJ-UHFFFAOYSA-N
MW438.17 g/mol
LogP6.55
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane (PubChem CID 172565321) has the molecular formula C12H9F15 and a molecular weight of 438.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane
PubChem CID172565321
Molecular FormulaC12H9F15
Molecular Weight438.17 g/mol
Exact Mass438.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CCC1
InChIInChI=1S/C12H9F15/c13-6(14,4-5-2-1-3-5)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h5H,1-4H2
InChIKeyZFWLHVKRFZZTEJ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.17
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane
CID 171489426
(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
(3R,4S)-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101190931
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
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
1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
CID 70927498
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995
2-cyclobutyl-1,1-difluoroethanesulfonic acid
CID 23082483

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane (CID 172565321) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CCC1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane?
The InChIKey is ZFWLHVKRFZZTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F15/c13-6(14,4-5-2-1-3-5)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h5H,1-4H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane has a molecular weight of 438.17 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane is sourced from PubChem (CID 172565321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).