2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene

C9H5F7O — CID 146293235

IUPAC2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)c(OC(F)(F)F)c1F
InChIInChI=1S/C9H5F7O/c1-4-2-3-5(8(11,12)13)7(6(4)10)17-9(14,15)16/h2-3H,1H3
InChIKeyDDLAKIUBGHGFJK-UHFFFAOYSA-N
MW262.12 g/mol
LogP4.05
Rot. Bonds1

About 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene

2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene (PubChem CID 146293235) has the molecular formula C9H5F7O and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
PubChem CID146293235
Molecular FormulaC9H5F7O
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)c(OC(F)(F)F)c1F
InChIInChI=1S/C9H5F7O/c1-4-2-3-5(8(11,12)13)7(6(4)10)17-9(14,15)16/h2-3H,1H3
InChIKeyDDLAKIUBGHGFJK-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478
1-bromo-4-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171008829
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
CID 171005471
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249
4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 146293234
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-methylbenzene
CID 118604500

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene (CID 146293235) is 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)c(OC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The InChIKey is DDLAKIUBGHGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O/c1-4-2-3-5(8(11,12)13)7(6(4)10)17-9(14,15)16/h2-3H,1H3.
What are the key properties of 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene has a molecular weight of 262.12 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 146293235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).