1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene

C14H9BrClF3O — CID 134625654

IUPAC1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2cc(Cl)cc(CBr)c2)cc1
InChIInChI=1S/C14H9BrClF3O/c15-8-9-5-11(7-12(16)6-9)10-1-3-13(4-2-10)20-14(17,18)19/h1-7H,8H2
InChIKeyHWWMFBXLCATSQE-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.80
Rot. Bonds3

About 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene

1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134625654) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID134625654
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2cc(Cl)cc(CBr)c2)cc1
InChIInChI=1S/C14H9BrClF3O/c15-8-9-5-11(7-12(16)6-9)10-1-3-13(4-2-10)20-14(17,18)19/h1-7H,8H2
InChIKeyHWWMFBXLCATSQE-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.80
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

2-[3-chloro-5-[4-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 134629862
3-chloro-5-[4-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134629860
4-[4-(bromomethyl)phenyl]-2-chloro-1-(trifluoromethoxy)benzene
CID 44627771
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845186
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene (CID 134625654) is 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(-c2cc(Cl)cc(CBr)c2)cc1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is HWWMFBXLCATSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-8-9-5-11(7-12(16)6-9)10-1-3-13(4-2-10)20-14(17,18)19/h1-7H,8H2.
What are the key properties of 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene?
1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 365.58 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134625654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).