2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine

C9H14F3N — CID 138509501

IUPAC2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine
SMILESCC1CCC(C(F)(F)F)=NC1(C)C
InChIInChI=1S/C9H14F3N/c1-6-4-5-7(9(10,11)12)13-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyDTADJOYIDAWDNP-UHFFFAOYSA-N
MW193.21 g/mol
LogP3.20
Rot. Bonds

About 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine

2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine (PubChem CID 138509501) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine
PubChem CID138509501
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine
SMILESCC1CCC(C(F)(F)F)=NC1(C)C
InChIInChI=1S/C9H14F3N/c1-6-4-5-7(9(10,11)12)13-8(6,2)3/h6H,4-5H2,1-3H3
InChIKeyDTADJOYIDAWDNP-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine?
The IUPAC name of 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine (CID 138509501) is 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine.
What is the SMILES notation for 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine?
The canonical SMILES for 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine is CC1CCC(C(F)(F)F)=NC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine?
The InChIKey is DTADJOYIDAWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-6-4-5-7(9(10,11)12)13-8(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine?
2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine has a molecular weight of 193.21 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 138509501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).