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

C14F18 — CID 88625948

IUPAC1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene
SMILESFC1=C(F)C(F)(F)C(F)(F)C2(F)C1=C(F)C(F)=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C14F18/c15-2-1-3(16)6(18)10(23,24)11(25,26)7(1,19)8(20)5(4(2)17)9(21,22)13(29,30)14(31,32)12(8,27)28
InChIKeyIAXISWAAKLQRHM-UHFFFAOYSA-N
MW510.12 g/mol
LogP6.85
Rot. Bonds

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

1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene (PubChem CID 88625948) has the molecular formula C14F18 and a molecular weight of 510.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene
PubChem CID88625948
Molecular FormulaC14F18
Molecular Weight510.12 g/mol
Exact Mass509.97
IUPAC Name1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene
SMILESFC1=C(F)C(F)(F)C(F)(F)C2(F)C1=C(F)C(F)=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C14F18/c15-2-1-3(16)6(18)10(23,24)11(25,26)7(1,19)8(20)5(4(2)17)9(21,22)13(29,30)14(31,32)12(8,27)28
InChIKeyIAXISWAAKLQRHM-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.12
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene (CID 88625948) is 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene is FC1=C(F)C(F)(F)C(F)(F)C2(F)C1=C(F)C(F)=C1C(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,5,5,6,6,7,8,9,10-octadecafluorophenanthrene?
The InChIKey is IAXISWAAKLQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F18/c15-2-1-3(16)6(18)10(23,24)11(25,26)7(1,19)8(20)5(4(2)17)9(21,22)13(29,30)14(31,32)12(8,27)28.
What are the key properties of 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene?
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,8,9,10-octadecafluorophenanthrene has a molecular weight of 510.12 g/mol, XLogP of 6.85, 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,5,5,6,6,7,8,9,10-octadecafluorophenanthrene is sourced from PubChem (CID 88625948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).