1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine

C9H14FN — CID 126994947

IUPAC1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESFC1(CN2CC=CCC2)CC1
InChIInChI=1S/C9H14FN/c10-9(4-5-9)8-11-6-2-1-3-7-11/h1-2H,3-8H2
InChIKeySFANTZSWCNNXHK-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.75
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine

1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 126994947) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID126994947
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESFC1(CN2CC=CCC2)CC1
InChIInChI=1S/C9H14FN/c10-9(4-5-9)8-11-6-2-1-3-7-11/h1-2H,3-8H2
InChIKeySFANTZSWCNNXHK-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine
CID 145335485
1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine
CID 146499175
4-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 117205519
1-ethyl-4-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205520
1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205572
1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 126995420
1-butyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 126997655
1-prop-2-enyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 130608842
5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
CID 130621576

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine (CID 126994947) is 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine is FC1(CN2CC=CCC2)CC1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is SFANTZSWCNNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c10-9(4-5-9)8-11-6-2-1-3-7-11/h1-2H,3-8H2.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 155.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126994947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).