3,10-bis(trifluoromethyl)picene

C24H12F6 — CID 88902241

IUPAC3,10-bis(trifluoromethyl)picene
SMILESFC(F)(F)c1ccc2c(ccc3c2ccc2c4ccc(C(F)(F)F)cc4ccc23)c1
InChIInChI=1S/C24H12F6/c25-23(26,27)15-3-7-17-13(11-15)1-5-21-19(17)9-10-20-18-8-4-16(24(28,29)30)12-14(18)2-6-22(20)21/h1-12H
InChIKeyYLCVKQSFBHJFOD-UHFFFAOYSA-N
MW414.35 g/mol
LogP8.34
Rot. Bonds

About 3,10-bis(trifluoromethyl)picene

3,10-bis(trifluoromethyl)picene (PubChem CID 88902241) has the molecular formula C24H12F6 and a molecular weight of 414.35 g/mol. Its IUPAC name is 3,10-bis(trifluoromethyl)picene.

Molecular Properties

Compound Name3,10-bis(trifluoromethyl)picene
PubChem CID88902241
Molecular FormulaC24H12F6
Molecular Weight414.35 g/mol
Exact Mass414.08
IUPAC Name3,10-bis(trifluoromethyl)picene
SMILESFC(F)(F)c1ccc2c(ccc3c2ccc2c4ccc(C(F)(F)F)cc4ccc23)c1
InChIInChI=1S/C24H12F6/c25-23(26,27)15-3-7-17-13(11-15)1-5-21-19(17)9-10-20-18-8-4-16(24(28,29)30)12-14(18)2-6-22(20)21/h1-12H
InChIKeyYLCVKQSFBHJFOD-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 58.34
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

2,11-bis(trifluoromethyl)picene
CID 88902337
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
1-iodo-2-methyl-6-(trifluoromethyl)isoquinolin-2-ium
CID 170259581
4-bromo-7-(trifluoromethyl)isoquinoline
CID 131699987
7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
CID 170898735
3-amino-6-(trifluoromethyl)naphthalen-1-ol
CID 105484357
1,3-dichloro-6-(trifluoromethyl)phenanthrene
CID 54512088
1-chloro-6-(trifluoromethyl)phthalazine
CID 172570708
6-(trifluoromethyl)phenanthrene-1-carboxylic acid
CID 625892

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(trifluoromethyl)picene?
The IUPAC name of 3,10-bis(trifluoromethyl)picene (CID 88902241) is 3,10-bis(trifluoromethyl)picene.
What is the SMILES notation for 3,10-bis(trifluoromethyl)picene?
The canonical SMILES for 3,10-bis(trifluoromethyl)picene is FC(F)(F)c1ccc2c(ccc3c2ccc2c4ccc(C(F)(F)F)cc4ccc23)c1.
What is the InChIKey of 3,10-bis(trifluoromethyl)picene?
The InChIKey is YLCVKQSFBHJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6/c25-23(26,27)15-3-7-17-13(11-15)1-5-21-19(17)9-10-20-18-8-4-16(24(28,29)30)12-14(18)2-6-22(20)21/h1-12H.
What are the key properties of 3,10-bis(trifluoromethyl)picene?
3,10-bis(trifluoromethyl)picene has a molecular weight of 414.35 g/mol, XLogP of 8.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(trifluoromethyl)picene is sourced from PubChem (CID 88902241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).