4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C11H20FN — CID 176790190

IUPAC4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(F)CCN(C(C)C)C1
InChIInChI=1S/C11H20FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-9H,5-7H2,1-4H3
InChIKeyXLGYJUNSMVOQIL-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

About 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 176790190) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID176790190
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(F)CCN(C(C)C)C1
InChIInChI=1S/C11H20FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-9H,5-7H2,1-4H3
InChIKeyXLGYJUNSMVOQIL-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
(2S,6R)-5-fluoro-1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 168260017
(6R)-5-fluoro-1,4,6-trimethyl-3,6-dihydro-2H-pyridine
CID 168260064
(2S)-2-ethyl-5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 168262029
5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 174282058
1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 174295585
3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine
CID 175243353
3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine
CID 177107862
4-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205523
5-(fluoromethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205575
5-fluoro-1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
CID 130621120

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 176790190) is 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=C(F)CCN(C(C)C)C1.
What is the InChIKey of 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XLGYJUNSMVOQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)10-7-13(9(3)4)6-5-11(10)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176790190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).