6-[(E)-1-fluoroprop-1-enyl]quinoline

C12H10FN — CID 173227059

IUPAC6-[(E)-1-fluoroprop-1-enyl]quinoline
SMILESC/C=C(/F)c1ccc2ncccc2c1
InChIInChI=1S/C12H10FN/c1-2-11(13)9-5-6-12-10(8-9)4-3-7-14-12/h2-8H,1H3/b11-2+
InChIKeyHAUCUNCMWJHVCS-BIIKFXOESA-N
MW187.22 g/mol
LogP3.57
Rot. Bonds1

About 6-[(E)-1-fluoroprop-1-enyl]quinoline

6-[(E)-1-fluoroprop-1-enyl]quinoline (PubChem CID 173227059) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 6-[(E)-1-fluoroprop-1-enyl]quinoline.

Molecular Properties

Compound Name6-[(E)-1-fluoroprop-1-enyl]quinoline
PubChem CID173227059
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name6-[(E)-1-fluoroprop-1-enyl]quinoline
SMILESC/C=C(/F)c1ccc2ncccc2c1
InChIInChI=1S/C12H10FN/c1-2-11(13)9-5-6-12-10(8-9)4-3-7-14-12/h2-8H,1H3/b11-2+
InChIKeyHAUCUNCMWJHVCS-BIIKFXOESA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;quinoline-6-carboxylic acid
CID 91364452
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
CID 175310043
N'-hydroxyquinoline-6-carboximidamide
CID 59214181
N-hydroxyquinoline-6-carboximidoyl chloride
CID 123379056
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
ethyl (E)-3-quinolin-6-ylbut-2-enoate
CID 18761648
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
N-amino-N'-methylquinoline-6-carboximidamide
CID 62874070

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-fluoroprop-1-enyl]quinoline?
The IUPAC name of 6-[(E)-1-fluoroprop-1-enyl]quinoline (CID 173227059) is 6-[(E)-1-fluoroprop-1-enyl]quinoline.
What is the SMILES notation for 6-[(E)-1-fluoroprop-1-enyl]quinoline?
The canonical SMILES for 6-[(E)-1-fluoroprop-1-enyl]quinoline is C/C=C(/F)c1ccc2ncccc2c1.
What is the InChIKey of 6-[(E)-1-fluoroprop-1-enyl]quinoline?
The InChIKey is HAUCUNCMWJHVCS-BIIKFXOESA-N. The full InChI is InChI=1S/C12H10FN/c1-2-11(13)9-5-6-12-10(8-9)4-3-7-14-12/h2-8H,1H3/b11-2+.
What are the key properties of 6-[(E)-1-fluoroprop-1-enyl]quinoline?
6-[(E)-1-fluoroprop-1-enyl]quinoline has a molecular weight of 187.22 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-fluoroprop-1-enyl]quinoline is sourced from PubChem (CID 173227059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).