4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene

C10H9BrF4O — CID 107691579

IUPAC4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
SMILESFc1cc(CBr)ccc1OCCC(F)(F)F
InChIInChI=1S/C10H9BrF4O/c11-6-7-1-2-9(8(12)5-7)16-4-3-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyOPMMIJLSFJSKCU-UHFFFAOYSA-N
MW301.08 g/mol
LogP4.05
Rot. Bonds4

About 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene

4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene (PubChem CID 107691579) has the molecular formula C10H9BrF4O and a molecular weight of 301.08 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
PubChem CID107691579
Molecular FormulaC10H9BrF4O
Molecular Weight301.08 g/mol
Exact Mass299.98
IUPAC Name4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
SMILESFc1cc(CBr)ccc1OCCC(F)(F)F
InChIInChI=1S/C10H9BrF4O/c11-6-7-1-2-9(8(12)5-7)16-4-3-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyOPMMIJLSFJSKCU-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-fluoro-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 107691649
2-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 107692637
4-(bromomethyl)-2-chloro-1-(4,4,4-trifluorobutoxy)benzene
CID 115514421
4-(bromomethyl)-1-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 107691526
4-(bromomethyl)-2-fluoro-1-(2-methylsulfonylethoxy)benzene
CID 107691591
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
4-(bromomethyl)-2-fluoro-1-(2-propan-2-ylsulfonylethoxy)benzene
CID 107691560
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090
N-[[3-bromo-4-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64552489
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene (CID 107691579) is 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene is Fc1cc(CBr)ccc1OCCC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene?
The InChIKey is OPMMIJLSFJSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4O/c11-6-7-1-2-9(8(12)5-7)16-4-3-10(13,14)15/h1-2,5H,3-4,6H2.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene?
4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene has a molecular weight of 301.08 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene is sourced from PubChem (CID 107691579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).