2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine

C9H9F4N — CID 165143812

IUPAC2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C9H9F4N/c1-5(2)6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3
InChIKeyGXGFOHMGHIOPBH-UHFFFAOYSA-N
MW207.17 g/mol
LogP3.36
Rot. Bonds1

About 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine

2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 165143812) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID165143812
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C9H9F4N/c1-5(2)6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3
InChIKeyGXGFOHMGHIOPBH-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 171367185
2-fluoro-3-methyl-6-(trifluoromethyl)pyridine
CID 130253491
2-fluoro-3,6-bis(trifluoromethyl)pyridine
CID 133095208
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 155585893
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-fluoro-3-phenyl-6-(trifluoromethyl)pyridine
CID 46314959
[(1R)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]propyl]azanide
CID 157212605
N-cyclopropyl-6-fluoro-5-propan-2-ylpyridin-2-amine
CID 165166462
3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 135317689
8-propan-2-yl-3-(trifluoromethyl)isoquinoline
CID 176986033
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine (CID 165143812) is 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)nc1F.
What is the InChIKey of 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is GXGFOHMGHIOPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5(2)6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3.
What are the key properties of 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine?
2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 207.17 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 165143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).