2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine

C30H28FN — CID 70965176

IUPAC2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine
SMILESCCC(CC)(CF)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C30H28FN/c1-3-29(4-2,21-31)27-19-12-20-28(32-27)30(22-13-6-5-7-14-22)25-17-10-8-15-23(25)24-16-9-11-18-26(24)30/h5-20H,3-4,21H2,1-2H3
InChIKeyITDJNLYYOXMPNH-UHFFFAOYSA-N
MW421.56 g/mol
LogP7.47
Rot. Bonds6

About 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine

2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine (PubChem CID 70965176) has the molecular formula C30H28FN and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine
PubChem CID70965176
Molecular FormulaC30H28FN
Molecular Weight421.56 g/mol
Exact Mass421.22
IUPAC Name2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine
SMILESCCC(CC)(CF)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C30H28FN/c1-3-29(4-2,21-31)27-19-12-20-28(32-27)30(22-13-6-5-7-14-22)25-17-10-8-15-23(25)24-16-9-11-18-26(24)30/h5-20H,3-4,21H2,1-2H3
InChIKeyITDJNLYYOXMPNH-UHFFFAOYSA-N
XLogP7.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine?
The IUPAC name of 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine (CID 70965176) is 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine.
What is the SMILES notation for 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine?
The canonical SMILES for 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine is CCC(CC)(CF)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine?
The InChIKey is ITDJNLYYOXMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN/c1-3-29(4-2,21-31)27-19-12-20-28(32-27)30(22-13-6-5-7-14-22)25-17-10-8-15-23(25)24-16-9-11-18-26(24)30/h5-20H,3-4,21H2,1-2H3.
What are the key properties of 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine?
2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine has a molecular weight of 421.56 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)pentan-3-yl]-6-(9-phenylfluoren-9-yl)pyridine is sourced from PubChem (CID 70965176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).