1,2,8-trifluorophenanthrene

C14H7F3 — CID 123788571

IUPAC1,2,8-trifluorophenanthrene
SMILESFc1ccc2c(ccc3c(F)cccc32)c1F
InChIInChI=1S/C14H7F3/c15-12-3-1-2-8-9-6-7-13(16)14(17)11(9)5-4-10(8)12/h1-7H
InChIKeyPELDYWYYWGMKIX-UHFFFAOYSA-N
MW232.20 g/mol
LogP4.41
Rot. Bonds

About 1,2,8-trifluorophenanthrene

1,2,8-trifluorophenanthrene (PubChem CID 123788571) has the molecular formula C14H7F3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,2,8-trifluorophenanthrene.

Molecular Properties

Compound Name1,2,8-trifluorophenanthrene
PubChem CID123788571
Molecular FormulaC14H7F3
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1,2,8-trifluorophenanthrene
SMILESFc1ccc2c(ccc3c(F)cccc32)c1F
InChIInChI=1S/C14H7F3/c15-12-3-1-2-8-9-6-7-13(16)14(17)11(9)5-4-10(8)12/h1-7H
InChIKeyPELDYWYYWGMKIX-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,5,6-trifluorophenanthrene
CID 123759706
1,2-difluoro-5-methylnaphthalene
CID 54417712
1,2-difluorochrysene
CID 86208925
1,2,3-trifluorobenzene
CID 15147
1,2,5,8-tetrafluoronaphthalene
CID 135202190
2-bromo-5-fluoronaphthalen-1-ol
CID 82275039
3-fluoroperylene
CID 10978520
1-ethynyl-5-fluoronaphthalene
CID 86094759
1-tert-butyl-5-fluoronaphthalene
CID 14176344
sodium;1-fluoronaphthalene;hydride
CID 174852667
magnesium;1-fluoronaphthalene;dibromide
CID 174875222
1-(2,5-dichlorophenyl)-5-fluoronaphthalene
CID 118818793

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluorophenanthrene?
The IUPAC name of 1,2,8-trifluorophenanthrene (CID 123788571) is 1,2,8-trifluorophenanthrene.
What is the SMILES notation for 1,2,8-trifluorophenanthrene?
The canonical SMILES for 1,2,8-trifluorophenanthrene is Fc1ccc2c(ccc3c(F)cccc32)c1F.
What is the InChIKey of 1,2,8-trifluorophenanthrene?
The InChIKey is PELDYWYYWGMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3/c15-12-3-1-2-8-9-6-7-13(16)14(17)11(9)5-4-10(8)12/h1-7H.
What are the key properties of 1,2,8-trifluorophenanthrene?
1,2,8-trifluorophenanthrene has a molecular weight of 232.20 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluorophenanthrene is sourced from PubChem (CID 123788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).