5-fluoro-1-propyl-3,6-dihydro-2H-pyridine

C8H14FN — CID 127741808

IUPAC5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(F)C1
InChIInChI=1S/C8H14FN/c1-2-5-10-6-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyKQJZMFYCSSUGQH-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.96
Rot. Bonds2

About 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine

5-fluoro-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 127741808) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID127741808
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(F)C1
InChIInChI=1S/C8H14FN/c1-2-5-10-6-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyKQJZMFYCSSUGQH-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 45086400
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 127007480
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
CID 127007451
4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
CID 141303290
1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 131052436
7-chloro-5-fluoro-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
CID 168941786
(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine
CID 154954008
3-chloro-6-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridazine
CID 126830546
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine
CID 88528368
1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole
CID 20537489
(NE)-N-[3-phenyl-1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine;hydrochloride
CID 14330056

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine (CID 127741808) is 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is KQJZMFYCSSUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-5-10-6-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 127741808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).