6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine

C10H17F2N — CID 118357208

IUPAC6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=CC(C(C)(F)F)NCC1
InChIInChI=1S/C10H17F2N/c1-7(2)8-4-5-13-9(6-8)10(3,11)12/h6-7,9,13H,4-5H2,1-3H3
InChIKeyLGTQUZCKBMBCHY-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.59
Rot. Bonds2

About 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine

6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 118357208) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID118357208
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=CC(C(C)(F)F)NCC1
InChIInChI=1S/C10H17F2N/c1-7(2)8-4-5-13-9(6-8)10(3,11)12/h6-7,9,13H,4-5H2,1-3H3
InChIKeyLGTQUZCKBMBCHY-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 118357208) is 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC(C)C1=CC(C(C)(F)F)NCC1.
What is the InChIKey of 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is LGTQUZCKBMBCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)8-4-5-13-9(6-8)10(3,11)12/h6-7,9,13H,4-5H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 189.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118357208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).