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

C11H20FN — CID 174282058

IUPAC5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(F)CN(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h8-9H,5-7H2,1-4H3
InChIKeyCOKQHFDYMRBOHU-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

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

5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 174282058) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID174282058
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(F)CN(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h8-9H,5-7H2,1-4H3
InChIKeyCOKQHFDYMRBOHU-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-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 139318274
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 140596328
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
(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
1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 174295585
(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine
CID 175612304
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 174282058) is 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=C(F)CN(C(C)C)CC1.
What is the InChIKey of 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is COKQHFDYMRBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
5-fluoro-1,4-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 5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174282058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).