5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine

C10H18FN — CID 130831235

IUPAC5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-5-10(11)7-12/h5,8-9H,4,6-7H2,1-3H3
InChIKeyXBPHLEGMBASLND-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 130831235) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID130831235
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-5-10(11)7-12/h5,8-9H,4,6-7H2,1-3H3
InChIKeyXBPHLEGMBASLND-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808
5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 127772956
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
(6R)-3-fluoro-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 132066957
1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 138668536
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
CID 142154455
1-(2-Fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine
CID 144749581
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine (CID 130831235) is 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C(C)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XBPHLEGMBASLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9(3)12-6-4-5-10(11)7-12/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylbutan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130831235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).