1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine

C10H18FN — CID 122642786

IUPAC1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCN1CC=C(C(C)C)C(F)C1
InChIInChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h5,8,10H,4,6-7H2,1-3H3
InChIKeyOVPKYBCHFLPBAQ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds2

About 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine

1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 122642786) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID122642786
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCN1CC=C(C(C)C)C(F)C1
InChIInChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h5,8,10H,4,6-7H2,1-3H3
InChIKeyOVPKYBCHFLPBAQ-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841
N-(cyclohexa-1,3-dien-1-ylmethyl)-1-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 134293845
4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
CID 134365732

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 122642786) is 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine is CCN1CC=C(C(C)C)C(F)C1.
What is the InChIKey of 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is OVPKYBCHFLPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 122642786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).