1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene

C11H15FO2 — CID 176835455

IUPAC1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
SMILESCOCc1c(C)ccc(F)c1COC
InChIInChI=1S/C11H15FO2/c1-8-4-5-11(12)10(7-14-3)9(8)6-13-2/h4-5H,6-7H2,1-3H3
InChIKeyQYTPSMDUJXESSR-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.43
Rot. Bonds4

About 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene

1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene (PubChem CID 176835455) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
PubChem CID176835455
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
SMILESCOCc1c(C)ccc(F)c1COC
InChIInChI=1S/C11H15FO2/c1-8-4-5-11(12)10(7-14-3)9(8)6-13-2/h4-5H,6-7H2,1-3H3
InChIKeyQYTPSMDUJXESSR-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(methoxymethyl)-6-methylphenyl]boronic acid
CID 164890904
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
CID 117290657
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
CID 174488029
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one
CID 125494608
3-[2,4-difluoro-3-(methoxymethyl)phenyl]propanal
CID 117305242
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305501
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
CID 82815523
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene?
The IUPAC name of 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene (CID 176835455) is 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene is COCc1c(C)ccc(F)c1COC.
What is the InChIKey of 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene?
The InChIKey is QYTPSMDUJXESSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8-4-5-11(12)10(7-14-3)9(8)6-13-2/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene?
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene has a molecular weight of 198.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene is sourced from PubChem (CID 176835455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).