6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine

C10H12F3N — CID 155443837

IUPAC6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine
SMILESCC(C)(C)c1ccc(F)c(C(F)F)n1
InChIInChI=1S/C10H12F3N/c1-10(2,3)7-5-4-6(11)8(14-7)9(12)13/h4-5,9H,1-3H3
InChIKeyIDEMSWPXPINKKH-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.46
Rot. Bonds1

About 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine

6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine (PubChem CID 155443837) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine
PubChem CID155443837
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine
SMILESCC(C)(C)c1ccc(F)c(C(F)F)n1
InChIInChI=1S/C10H12F3N/c1-10(2,3)7-5-4-6(11)8(14-7)9(12)13/h4-5,9H,1-3H3
InChIKeyIDEMSWPXPINKKH-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine (CID 155443837) is 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine is CC(C)(C)c1ccc(F)c(C(F)F)n1.
What is the InChIKey of 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine?
The InChIKey is IDEMSWPXPINKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(2,3)7-5-4-6(11)8(14-7)9(12)13/h4-5,9H,1-3H3.
What are the key properties of 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine?
6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine has a molecular weight of 203.21 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 155443837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).