4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine

C11H18FN — CID 175392976

IUPAC4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
SMILESCC(C)C1(CCCF)C=CN=CC1
InChIInChI=1S/C11H18FN/c1-10(2)11(4-3-7-12)5-8-13-9-6-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyALJQHTMGKTWDOJ-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.37
Rot. Bonds4

About 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine

4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine (PubChem CID 175392976) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
PubChem CID175392976
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
SMILESCC(C)C1(CCCF)C=CN=CC1
InChIInChI=1S/C11H18FN/c1-10(2)11(4-3-7-12)5-8-13-9-6-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyALJQHTMGKTWDOJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
CID 137399813
(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263
4-Vinyl-4-ethyl-pyridine
CID 129787413
3,4-dimethyl-4-(trifluoromethyl)-3H-pyridine
CID 162579214
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3,3-Di(propan-2-yl)pyrrole
CID 58056046
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938
3,4-Ditert-butyl-3,4-dihydropyridine
CID 67128753
3,3,4,4-Tetraethylpyridine
CID 67362873

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine?
The IUPAC name of 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine (CID 175392976) is 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine.
What is the SMILES notation for 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine?
The canonical SMILES for 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine is CC(C)C1(CCCF)C=CN=CC1.
What is the InChIKey of 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine?
The InChIKey is ALJQHTMGKTWDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-10(2)11(4-3-7-12)5-8-13-9-6-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine?
4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine has a molecular weight of 183.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine is sourced from PubChem (CID 175392976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).