2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine

C25H32F4N2 — CID 154964373

IUPAC2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine
SMILESCc1cc(C(C)CCC(C)c2cc(C(C)C)ncc2CF)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C25H32F4N2/c1-14(2)21-11-20(19(12-26)13-30-21)15(3)6-7-16(4)22-10-17(5)23(25(27,28)29)24(31-22)18-8-9-18/h10-11,13-16,18H,6-9,12H2,1-5H3
InChIKeyWNYYGNWBJVEPCI-UHFFFAOYSA-N
MW436.54 g/mol
LogP7.96
Rot. Bonds8

About 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine

2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine (PubChem CID 154964373) has the molecular formula C25H32F4N2 and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine
PubChem CID154964373
Molecular FormulaC25H32F4N2
Molecular Weight436.54 g/mol
Exact Mass436.25
IUPAC Name2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine
SMILESCc1cc(C(C)CCC(C)c2cc(C(C)C)ncc2CF)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C25H32F4N2/c1-14(2)21-11-20(19(12-26)13-30-21)15(3)6-7-16(4)22-10-17(5)23(25(27,28)29)24(31-22)18-8-9-18/h10-11,13-16,18H,6-9,12H2,1-5H3
InChIKeyWNYYGNWBJVEPCI-UHFFFAOYSA-N
XLogP7.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine (CID 154964373) is 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine is Cc1cc(C(C)CCC(C)c2cc(C(C)C)ncc2CF)nc(C2CC2)c1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is WNYYGNWBJVEPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F4N2/c1-14(2)21-11-20(19(12-26)13-30-21)15(3)6-7-16(4)22-10-17(5)23(25(27,28)29)24(31-22)18-8-9-18/h10-11,13-16,18H,6-9,12H2,1-5H3.
What are the key properties of 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine?
2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 436.54 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[5-[5-(fluoromethyl)-2-propan-2-yl-4-pyridinyl]hexan-2-yl]-4-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 154964373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).