4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen

C7H13F2N — CID 177147433

IUPAC4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
SMILESCCC1=CCNCC1(F)F.[H][H]
InChIInChI=1S/C7H11F2N.H2/c1-2-6-3-4-10-5-7(6,8)9;/h3,10H,2,4-5H2,1H3;1H
InChIKeyJPOLJGBXHRGOQP-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds1

About 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen

4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen (PubChem CID 177147433) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen.

Molecular Properties

Compound Name4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
PubChem CID177147433
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
SMILESCCC1=CCNCC1(F)F.[H][H]
InChIInChI=1S/C7H11F2N.H2/c1-2-6-3-4-10-5-7(6,8)9;/h3,10H,2,4-5H2,1H3;1H
InChIKeyJPOLJGBXHRGOQP-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
4-(2,2,2-Trifluoroethylidene)piperidine hydrochloride
CID 165949059
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 26985655
4-(3,3,3-Trifluoropropylidene)piperidine
CID 66803203
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 131587634

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen?
The IUPAC name of 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen (CID 177147433) is 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen.
What is the SMILES notation for 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen?
The canonical SMILES for 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen is CCC1=CCNCC1(F)F.[H][H].
What is the InChIKey of 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen?
The InChIKey is JPOLJGBXHRGOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.H2/c1-2-6-3-4-10-5-7(6,8)9;/h3,10H,2,4-5H2,1H3;1H.
What are the key properties of 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen?
4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen has a molecular weight of 149.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen is sourced from PubChem (CID 177147433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).