7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline

C12H16FNO — CID 105463071

IUPAC7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC1CNc2cc(F)ccc2C1
InChIInChI=1S/C12H16FNO/c1-15-5-4-9-6-10-2-3-11(13)7-12(10)14-8-9/h2-3,7,9,14H,4-6,8H2,1H3
InChIKeyFDPDXZLCMNEVGQ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.45
Rot. Bonds3

About 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline

7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105463071) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105463071
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC1CNc2cc(F)ccc2C1
InChIInChI=1S/C12H16FNO/c1-15-5-4-9-6-10-2-3-11(13)7-12(10)14-8-9/h2-3,7,9,14H,4-6,8H2,1H3
InChIKeyFDPDXZLCMNEVGQ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82408944
N-ethyl-7-fluoro-1,2,3,4-tetrahydroquinolin-3-amine
CID 105448210
7-fluoro-1,2,3,4-tetrahydroquinolin-3-ol;hydrochloride
CID 105455876
7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105463065
methyl 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoate
CID 129452531
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386189
3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
CID 106902144
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
CID 129452228
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline (CID 105463071) is 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline is COCCC1CNc2cc(F)ccc2C1.
What is the InChIKey of 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FDPDXZLCMNEVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-5-4-9-6-10-2-3-11(13)7-12(10)14-8-9/h2-3,7,9,14H,4-6,8H2,1H3.
What are the key properties of 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 209.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105463071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).