5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

C11H14FNO — CID 90762701

IUPAC5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOC(F)c1cccc2c1CCNC2
InChIInChI=1S/C11H14FNO/c1-14-11(12)10-4-2-3-8-7-13-6-5-9(8)10/h2-4,11,13H,5-7H2,1H3
InChIKeyILEVDHJSLDTOHG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.95
Rot. Bonds2

About 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 90762701) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID90762701
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOC(F)c1cccc2c1CCNC2
InChIInChI=1S/C11H14FNO/c1-14-11(12)10-4-2-3-8-7-13-6-5-9(8)10/h2-4,11,13H,5-7H2,1H3
InChIKeyILEVDHJSLDTOHG-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3,4-dihydroxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)butanoate
CID 171895811
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
CID 84652151
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
3-chloro-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)propane-1,2-diol
CID 171862254
3-sulfanyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)propane-1,2-diol
CID 170820097
7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one
CID 174536730
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 90762701) is 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is COC(F)c1cccc2c1CCNC2.
What is the InChIKey of 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ILEVDHJSLDTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11(12)10-4-2-3-8-7-13-6-5-9(8)10/h2-4,11,13H,5-7H2,1H3.
What are the key properties of 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 195.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(methoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 90762701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).