1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine

C9H12F3N — CID 90423426

IUPAC1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
SMILESCC(C)(N1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-8(2,9(10,11)12)13-6-4-3-5-7-13/h3-6H,7H2,1-2H3
InChIKeyABBXQPWXEFAFMN-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.71
Rot. Bonds1

About 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine

1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine (PubChem CID 90423426) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
PubChem CID90423426
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
SMILESCC(C)(N1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-8(2,9(10,11)12)13-6-4-3-5-7-13/h3-6H,7H2,1-2H3
InChIKeyABBXQPWXEFAFMN-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine?
The IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine (CID 90423426) is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine?
The canonical SMILES for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine is CC(C)(N1C=CC=CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine?
The InChIKey is ABBXQPWXEFAFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-8(2,9(10,11)12)13-6-4-3-5-7-13/h3-6H,7H2,1-2H3.
What are the key properties of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine?
1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine has a molecular weight of 191.20 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine is sourced from PubChem (CID 90423426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).