2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline

C18H10F7N — CID 164677987

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H10F7N/c19-16(20,17(21,22)18(23,24)25)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)26-15/h1-10H
InChIKeyBKHXADSFLCPAEN-UHFFFAOYSA-N
MW373.27 g/mol
LogP6.19
Rot. Bonds3

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline

2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline (PubChem CID 164677987) has the molecular formula C18H10F7N and a molecular weight of 373.27 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
PubChem CID164677987
Molecular FormulaC18H10F7N
Molecular Weight373.27 g/mol
Exact Mass373.07
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
SMILESFC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H10F7N/c19-16(20,17(21,22)18(23,24)25)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)26-15/h1-10H
InChIKeyBKHXADSFLCPAEN-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.27
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylquinolin-2-yl)propane-2-thiol
CID 156541740
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
CID 15213749
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrimidin-6-one
CID 135446520
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2-(2,3,4,5,6-pentafluorophenyl)-4-phenylquinoline
CID 15099821
2-phenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-6-one
CID 136852890
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylphenanthridine
CID 102237067
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-(chloromethyl)-4-phenylquinoline
CID 70386210
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline (CID 164677987) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline is FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline?
The InChIKey is BKHXADSFLCPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F7N/c19-16(20,17(21,22)18(23,24)25)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)26-15/h1-10H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline has a molecular weight of 373.27 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline is sourced from PubChem (CID 164677987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).