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

C9H8F4O — CID 91726979

IUPAC1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
SMILESCOCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H8F4O/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyJCTGNPJROSACTQ-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.99
Rot. Bonds2

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

1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene (PubChem CID 91726979) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
PubChem CID91726979
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
SMILESCOCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H8F4O/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyJCTGNPJROSACTQ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
1-fluoro-2-(hexan-3-yloxymethyl)-3-(trifluoromethyl)benzene
CID 130204928
2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67327886
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine
CID 122238602
[2-fluoro-6-(trifluoromethyl)phenyl]methyl 2-methylsulfanylbenzoate
CID 91715797
4-O-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl] 1-O-propyl butanedioate
CID 91726949
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 53434186
4-O-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl] 1-O-octyl butanedioate
CID 91726947
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
CID 143764399
1-chloro-2-[dideuterio(methoxy)methyl]-3-(trifluoromethyl)benzene
CID 176829052

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene (CID 91726979) is 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene is COCc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene?
The InChIKey is JCTGNPJROSACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-14-5-6-7(9(11,12)13)3-2-4-8(6)10/h2-4H,5H2,1H3.
What are the key properties of 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene?
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene has a molecular weight of 208.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 91726979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).