1,3,7-trifluorophenanthrene

C14H7F3 — CID 123732969

IUPAC1,3,7-trifluorophenanthrene
SMILESFc1ccc2c(ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C14H7F3/c15-9-2-4-11-8(5-9)1-3-12-13(11)6-10(16)7-14(12)17/h1-7H
InChIKeySYOYVRMZOVNKFR-UHFFFAOYSA-N
MW232.20 g/mol
LogP4.41
Rot. Bonds

About 1,3,7-trifluorophenanthrene

1,3,7-trifluorophenanthrene (PubChem CID 123732969) has the molecular formula C14H7F3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,3,7-trifluorophenanthrene.

Molecular Properties

Compound Name1,3,7-trifluorophenanthrene
PubChem CID123732969
Molecular FormulaC14H7F3
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1,3,7-trifluorophenanthrene
SMILESFc1ccc2c(ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C14H7F3/c15-9-2-4-11-8(5-9)1-3-12-13(11)6-10(16)7-14(12)17/h1-7H
InChIKeySYOYVRMZOVNKFR-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'}

Analyze 1,3,7-trifluorophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trifluorophenanthrene?
The IUPAC name of 1,3,7-trifluorophenanthrene (CID 123732969) is 1,3,7-trifluorophenanthrene.
What is the SMILES notation for 1,3,7-trifluorophenanthrene?
The canonical SMILES for 1,3,7-trifluorophenanthrene is Fc1ccc2c(ccc3c(F)cc(F)cc32)c1.
What is the InChIKey of 1,3,7-trifluorophenanthrene?
The InChIKey is SYOYVRMZOVNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3/c15-9-2-4-11-8(5-9)1-3-12-13(11)6-10(16)7-14(12)17/h1-7H.
What are the key properties of 1,3,7-trifluorophenanthrene?
1,3,7-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 1,3,7-trifluorophenanthrene is sourced from PubChem (CID 123732969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).