5-fluoro-1,2,3,6-tetrahydropyridin-2-amine

C5H9FN2 — CID 123335050

IUPAC5-fluoro-1,2,3,6-tetrahydropyridin-2-amine
SMILESNC1CC=C(F)CN1
InChIInChI=1S/C5H9FN2/c6-4-1-2-5(7)8-3-4/h1,5,8H,2-3,7H2
InChIKeyZBLMRKDAIRFSJK-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.12
Rot. Bonds

About 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine

5-fluoro-1,2,3,6-tetrahydropyridin-2-amine (PubChem CID 123335050) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-1,2,3,6-tetrahydropyridin-2-amine
PubChem CID123335050
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name5-fluoro-1,2,3,6-tetrahydropyridin-2-amine
SMILESNC1CC=C(F)CN1
InChIInChI=1S/C5H9FN2/c6-4-1-2-5(7)8-3-4/h1,5,8H,2-3,7H2
InChIKeyZBLMRKDAIRFSJK-UHFFFAOYSA-N
XLogP0.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-1,2,3,6-tetrahydropyridine
CID 15895241
5-Fluoro-1,2,3,6-tetrahydropyridine
CID 75480349
2-Fluoro-1,2,3,6-tetrahydropyridine
CID 91289839
1-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine
CID 167226682
Fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 105427521
5-(Fluoromethyl)-1,2,3,6-tetrahydropyridine
CID 117205587
1,2,3,6-Tetrahydropyridin-2-amine
CID 5231366
4-Fluoro-1,2,3,6-tetrahydropyridine hydrochloride
CID 21192568
N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
CID 56614411
2,3,6,7-tetrahydro-1H-azepin-2-amine
CID 137400208
6-methyl-2,5-dihydro-1H-pyridin-6-amine
CID 138527537
5-Methyl-1,2,3,6-tetrahydropyridin-2-amine
CID 139439513

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine?
The IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine (CID 123335050) is 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine.
What is the SMILES notation for 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine?
The canonical SMILES for 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine is NC1CC=C(F)CN1.
What is the InChIKey of 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine?
The InChIKey is ZBLMRKDAIRFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c6-4-1-2-5(7)8-3-4/h1,5,8H,2-3,7H2.
What are the key properties of 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine?
5-fluoro-1,2,3,6-tetrahydropyridin-2-amine has a molecular weight of 116.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,6-tetrahydropyridin-2-amine is sourced from PubChem (CID 123335050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).