1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene

C9H7BrF4O — CID 91759019

IUPAC1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene
SMILESFc1ccc(Br)c(COCC(F)(F)F)c1
InChIInChI=1S/C9H7BrF4O/c10-8-2-1-7(11)3-6(8)4-15-5-9(12,13)14/h1-3H,4-5H2
InChIKeyMMVYBHYVXBSNRH-UHFFFAOYSA-N
MW287.05 g/mol
LogP3.67
Rot. Bonds3

About 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene

1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 91759019) has the molecular formula C9H7BrF4O and a molecular weight of 287.05 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID91759019
Molecular FormulaC9H7BrF4O
Molecular Weight287.05 g/mol
Exact Mass285.96
IUPAC Name1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene
SMILESFc1ccc(Br)c(COCC(F)(F)F)c1
InChIInChI=1S/C9H7BrF4O/c10-8-2-1-7(11)3-6(8)4-15-5-9(12,13)14/h1-3H,4-5H2
InChIKeyMMVYBHYVXBSNRH-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573
[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]boronic acid
CID 91758876
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
1-bromo-4-fluoro-2-(2-methylprop-2-enoxymethyl)benzene
CID 102404987
(2-bromo-5-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 91735693
2-bromo-4-fluoro-1-(4,4,4-trifluorobutoxymethyl)benzene
CID 82787646
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
CID 64574241
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
1-bromo-2-(prop-2-enoxymethyl)-4-(trifluoromethyl)benzene
CID 164866860
1-(2-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475087
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene (CID 91759019) is 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene is Fc1ccc(Br)c(COCC(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is MMVYBHYVXBSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O/c10-8-2-1-7(11)3-6(8)4-15-5-9(12,13)14/h1-3H,4-5H2.
What are the key properties of 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene?
1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 287.05 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 91759019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).