4-fluoro-8-(methoxymethyl)isoquinoline

C11H10FNO — CID 176672593

IUPAC4-fluoro-8-(methoxymethyl)isoquinoline
SMILESCOCc1cccc2c(F)cncc12
InChIInChI=1S/C11H10FNO/c1-14-7-8-3-2-4-9-10(8)5-13-6-11(9)12/h2-6H,7H2,1H3
InChIKeyZDYHABGJBOLNMZ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.52
Rot. Bonds2

About 4-fluoro-8-(methoxymethyl)isoquinoline

4-fluoro-8-(methoxymethyl)isoquinoline (PubChem CID 176672593) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-fluoro-8-(methoxymethyl)isoquinoline.

Molecular Properties

Compound Name4-fluoro-8-(methoxymethyl)isoquinoline
PubChem CID176672593
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name4-fluoro-8-(methoxymethyl)isoquinoline
SMILESCOCc1cccc2c(F)cncc12
InChIInChI=1S/C11H10FNO/c1-14-7-8-3-2-4-9-10(8)5-13-6-11(9)12/h2-6H,7H2,1H3
InChIKeyZDYHABGJBOLNMZ-UHFFFAOYSA-N
XLogP2.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
CID 88945254
CID 88945254
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3,4-dibromo-8-(methoxymethyl)quinoline
CID 114764039
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
2-fluoro-5-(isoquinolin-8-ylmethoxy)-4-methoxyaniline
CID 166065965
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-(methoxymethyl)isoquinoline?
The IUPAC name of 4-fluoro-8-(methoxymethyl)isoquinoline (CID 176672593) is 4-fluoro-8-(methoxymethyl)isoquinoline.
What is the SMILES notation for 4-fluoro-8-(methoxymethyl)isoquinoline?
The canonical SMILES for 4-fluoro-8-(methoxymethyl)isoquinoline is COCc1cccc2c(F)cncc12.
What is the InChIKey of 4-fluoro-8-(methoxymethyl)isoquinoline?
The InChIKey is ZDYHABGJBOLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-14-7-8-3-2-4-9-10(8)5-13-6-11(9)12/h2-6H,7H2,1H3.
What are the key properties of 4-fluoro-8-(methoxymethyl)isoquinoline?
4-fluoro-8-(methoxymethyl)isoquinoline has a molecular weight of 191.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(methoxymethyl)isoquinoline is sourced from PubChem (CID 176672593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).