2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene

C10H9BrF4O — CID 66276998

IUPAC2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
SMILESCC(OCc1ccc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF4O/c1-6(10(13,14)15)16-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3
InChIKeyQQNPVXHYKXZTED-UHFFFAOYSA-N
MW301.08 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene

2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene (PubChem CID 66276998) has the molecular formula C10H9BrF4O and a molecular weight of 301.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
PubChem CID66276998
Molecular FormulaC10H9BrF4O
Molecular Weight301.08 g/mol
Exact Mass299.98
IUPAC Name2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
SMILESCC(OCc1ccc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF4O/c1-6(10(13,14)15)16-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3
InChIKeyQQNPVXHYKXZTED-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzoic acid
CID 66277273
methyl 3-bromo-4-(1,1,1-trifluoropropan-2-yloxymethyl)benzoate
CID 102765566
5-fluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzenecarbothioamide
CID 66276106
N-[[3-bromo-4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102773778
2-bromo-1-(3,3-dimethylbutoxymethyl)-4-fluorobenzene
CID 66225152
2-bromo-4-fluoro-1-(octan-2-yloxymethyl)benzene
CID 63457034
4-bromo-1-methoxy-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
CID 66276996
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
1-(2-bromo-4-fluorophenyl)-3-ethoxypentan-2-one
CID 116707531
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
2-bromo-4-fluoro-1-(4,4,4-trifluorobutoxymethyl)benzene
CID 82787646
2-bromo-1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 167714108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene?
The IUPAC name of 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene (CID 66276998) is 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene?
The canonical SMILES for 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene is CC(OCc1ccc(F)cc1Br)C(F)(F)F.
What is the InChIKey of 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene?
The InChIKey is QQNPVXHYKXZTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4O/c1-6(10(13,14)15)16-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene?
2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene has a molecular weight of 301.08 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-(1,1,1-trifluoropropan-2-yloxymethyl)benzene is sourced from PubChem (CID 66276998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).