1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene

C15H3F23 — CID 59941574

IUPAC1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene
SMILESCC1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C15H3F23/c1-2(16)3(17)4(18,9(25,26)13(33,34)7(2,21)22)5(19)6(20,11(29,30)8(3,23)24)12(31,32)15(37,38)14(35,36)10(5,27)28/h1H3
InChIKeyINTWKAJTCOKAEZ-UHFFFAOYSA-N
MW620.14 g/mol
LogP7.31
Rot. Bonds

About 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene

1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene (PubChem CID 59941574) has the molecular formula C15H3F23 and a molecular weight of 620.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene
PubChem CID59941574
Molecular FormulaC15H3F23
Molecular Weight620.14 g/mol
Exact Mass619.99
IUPAC Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene
SMILESCC1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C15H3F23/c1-2(16)3(17)4(18,9(25,26)13(33,34)7(2,21)22)5(19)6(20,11(29,30)8(3,23)24)12(31,32)15(37,38)14(35,36)10(5,27)28/h1H3
InChIKeyINTWKAJTCOKAEZ-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.14
LogP ≤ 57.31
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

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1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
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1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
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1,1-difluoro-2,2,3,3-tetramethylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene (CID 59941574) is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene is CC1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene?
The InChIKey is INTWKAJTCOKAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3F23/c1-2(16)3(17)4(18,9(25,26)13(33,34)7(2,21)22)5(19)6(20,11(29,30)8(3,23)24)12(31,32)15(37,38)14(35,36)10(5,27)28/h1H3.
What are the key properties of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene?
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene has a molecular weight of 620.14 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene is sourced from PubChem (CID 59941574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).