6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine

C17H10F7N — CID 102237067

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
SMILESCc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)F)c3ccccc3c2c1
InChIInChI=1S/C17H10F7N/c1-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(25-13)15(18,19)16(20,21)17(22,23)24/h2-8H,1H3
InChIKeyFQLLCCNXEZYHBY-UHFFFAOYSA-N
MW361.26 g/mol
LogP5.99
Rot. Bonds2

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine (PubChem CID 102237067) has the molecular formula C17H10F7N and a molecular weight of 361.26 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
PubChem CID102237067
Molecular FormulaC17H10F7N
Molecular Weight361.26 g/mol
Exact Mass361.07
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
SMILESCc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)F)c3ccccc3c2c1
InChIInChI=1S/C17H10F7N/c1-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(25-13)15(18,19)16(20,21)17(22,23)24/h2-8H,1H3
InChIKeyFQLLCCNXEZYHBY-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.26
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile
CID 164678069
6-[difluoro-(4-methylphenyl)methyl]phenanthridine
CID 132529076
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6,7-dimethyl-3-phenylquinoxaline
CID 132522555
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
CID 164677987
2-methylphenanthridine
CID 14384826
6-cyclobutyl-2-methylphenanthridine
CID 132849259
2,7-dimethyltriphenylene
CID 23261750
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
6-[difluoro(phenyl)methyl]phenanthridine
CID 141426161
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
1-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinoline
CID 12507585

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine (CID 102237067) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine is Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)F)c3ccccc3c2c1.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine?
The InChIKey is FQLLCCNXEZYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7N/c1-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(25-13)15(18,19)16(20,21)17(22,23)24/h2-8H,1H3.
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine has a molecular weight of 361.26 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine is sourced from PubChem (CID 102237067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).