3-(fluoromethyl)-2-propan-2-ylpyridine

C9H12FN — CID 147644116

IUPAC3-(fluoromethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1CF
InChIInChI=1S/C9H12FN/c1-7(2)9-8(6-10)4-3-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyGIEZMGMCHOLRDG-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.67
Rot. Bonds2

About 3-(fluoromethyl)-2-propan-2-ylpyridine

3-(fluoromethyl)-2-propan-2-ylpyridine (PubChem CID 147644116) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-2-propan-2-ylpyridine
PubChem CID147644116
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name3-(fluoromethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1CF
InChIInChI=1S/C9H12FN/c1-7(2)9-8(6-10)4-3-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyGIEZMGMCHOLRDG-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
3-ethylsulfinyl-2-propan-2-ylpyridine
CID 18741294
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
2-fluoro-3-(3-methylbutyl)pyridine
CID 156848647
(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine
CID 134168250
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-amine
CID 107896820
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-propan-2-ylpyridine?
The IUPAC name of 3-(fluoromethyl)-2-propan-2-ylpyridine (CID 147644116) is 3-(fluoromethyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(fluoromethyl)-2-propan-2-ylpyridine?
The canonical SMILES for 3-(fluoromethyl)-2-propan-2-ylpyridine is CC(C)c1ncccc1CF.
What is the InChIKey of 3-(fluoromethyl)-2-propan-2-ylpyridine?
The InChIKey is GIEZMGMCHOLRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7(2)9-8(6-10)4-3-5-11-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-2-propan-2-ylpyridine?
3-(fluoromethyl)-2-propan-2-ylpyridine has a molecular weight of 153.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 147644116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).