2-fluoro-1-methoxy-3-(methoxymethyl)benzene

C9H11FO2 — CID 70661160

IUPAC2-fluoro-1-methoxy-3-(methoxymethyl)benzene
SMILESCOCc1cccc(OC)c1F
InChIInChI=1S/C9H11FO2/c1-11-6-7-4-3-5-8(12-2)9(7)10/h3-5H,6H2,1-2H3
InChIKeyMWIKZKIEDUICRY-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.98
Rot. Bonds3

About 2-fluoro-1-methoxy-3-(methoxymethyl)benzene

2-fluoro-1-methoxy-3-(methoxymethyl)benzene (PubChem CID 70661160) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-(methoxymethyl)benzene
PubChem CID70661160
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-fluoro-1-methoxy-3-(methoxymethyl)benzene
SMILESCOCc1cccc(OC)c1F
InChIInChI=1S/C9H11FO2/c1-11-6-7-4-3-5-8(12-2)9(7)10/h3-5H,6H2,1-2H3
InChIKeyMWIKZKIEDUICRY-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 59479330
CID 88945254
CID 88945254
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 104791155

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-(methoxymethyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-3-(methoxymethyl)benzene (CID 70661160) is 2-fluoro-1-methoxy-3-(methoxymethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-(methoxymethyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-(methoxymethyl)benzene is COCc1cccc(OC)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-(methoxymethyl)benzene?
The InChIKey is MWIKZKIEDUICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-11-6-7-4-3-5-8(12-2)9(7)10/h3-5H,6H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-3-(methoxymethyl)benzene?
2-fluoro-1-methoxy-3-(methoxymethyl)benzene has a molecular weight of 170.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-(methoxymethyl)benzene is sourced from PubChem (CID 70661160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).