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

C20H22F6N2 — CID 146215082

IUPAC3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cnc1C(C)Cc1cc(C(F)(F)F)c(C)c(C(C)C)n1
InChIInChI=1S/C20H22F6N2/c1-10(2)17-13(5)16(20(24,25)26)8-15(28-17)7-12(4)18-11(3)6-14(9-27-18)19(21,22)23/h6,8-10,12H,7H2,1-5H3
InChIKeyQENFNAKTRDBEGP-UHFFFAOYSA-N
MW404.40 g/mol
LogP6.60
Rot. Bonds4

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

3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 146215082) has the molecular formula C20H22F6N2 and a molecular weight of 404.40 g/mol. Its IUPAC name is 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID146215082
Molecular FormulaC20H22F6N2
Molecular Weight404.40 g/mol
Exact Mass404.17
IUPAC Name3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cnc1C(C)Cc1cc(C(F)(F)F)c(C)c(C(C)C)n1
InChIInChI=1S/C20H22F6N2/c1-10(2)17-13(5)16(20(24,25)26)8-15(28-17)7-12(4)18-11(3)6-14(9-27-18)19(21,22)23/h6,8-10,12H,7H2,1-5H3
InChIKeyQENFNAKTRDBEGP-UHFFFAOYSA-N
XLogP6.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450
2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine
CID 146614926
2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 139481004
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
CID 130097653
2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 176930322
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
7-propan-2-yl-3-(trifluoromethyl)quinoline
CID 59352046
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 146215082) is 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cnc1C(C)Cc1cc(C(F)(F)F)c(C)c(C(C)C)n1.
What is the InChIKey of 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is QENFNAKTRDBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6N2/c1-10(2)17-13(5)16(20(24,25)26)8-15(28-17)7-12(4)18-11(3)6-14(9-27-18)19(21,22)23/h6,8-10,12H,7H2,1-5H3.
What are the key properties of 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 404.40 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]propyl]-2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 146215082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).