3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine

C20H25F2N — CID 138464656

IUPAC3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine
SMILESCC(Cc1ccc([C@H](C)C(C)C)c(F)c1)Cc1ncccc1F
InChIInChI=1S/C20H25F2N/c1-13(2)15(4)17-8-7-16(12-19(17)22)10-14(3)11-20-18(21)6-5-9-23-20/h5-9,12-15H,10-11H2,1-4H3/t14?,15-/m1/s1
InChIKeyXXJSEIKQMZVKHR-YSSOQSIOSA-N
MW317.42 g/mol
LogP5.54
Rot. Bonds6

About 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine

3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine (PubChem CID 138464656) has the molecular formula C20H25F2N and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine
PubChem CID138464656
Molecular FormulaC20H25F2N
Molecular Weight317.42 g/mol
Exact Mass317.20
IUPAC Name3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine
SMILESCC(Cc1ccc([C@H](C)C(C)C)c(F)c1)Cc1ncccc1F
InChIInChI=1S/C20H25F2N/c1-13(2)15(4)17-8-7-16(12-19(17)22)10-14(3)11-20-18(21)6-5-9-23-20/h5-9,12-15H,10-11H2,1-4H3/t14?,15-/m1/s1
InChIKeyXXJSEIKQMZVKHR-YSSOQSIOSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine with MolForge

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Related Compounds

1-(3-fluoro-2-pyridinyl)-N-methylpropan-2-amine
CID 63199828
2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
CID 63204105
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
2-(2-chloro-3-methoxypropyl)-3-fluoropyridine
CID 63205465
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
1-(3-fluoro-2-pyridinyl)-N-propylpentan-2-amine
CID 63198137
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine?
The IUPAC name of 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine (CID 138464656) is 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine?
The canonical SMILES for 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine is CC(Cc1ccc([C@H](C)C(C)C)c(F)c1)Cc1ncccc1F.
What is the InChIKey of 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine?
The InChIKey is XXJSEIKQMZVKHR-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H25F2N/c1-13(2)15(4)17-8-7-16(12-19(17)22)10-14(3)11-20-18(21)6-5-9-23-20/h5-9,12-15H,10-11H2,1-4H3/t14?,15-/m1/s1.
What are the key properties of 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine?
3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine has a molecular weight of 317.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-[3-fluoro-4-[(2R)-3-methylbutan-2-yl]phenyl]-2-methylpropyl]pyridine is sourced from PubChem (CID 138464656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).