bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate

C15H11BrF3O2- — CID 20636363

IUPACbromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
SMILESCBr.O=C([O-])C(F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H9F3O2.CH3Br/c15-11-5-1-9(2-6-11)14(17,13(18)19)10-3-7-12(16)8-4-10;1-2/h1-8H,(H,18,19);1H3/p-1
InChIKeyUEEFCGXTLJANJI-UHFFFAOYSA-M
MW360.15 g/mol
LogP2.94
Rot. Bonds3

About bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate

bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate (PubChem CID 20636363) has the molecular formula C15H11BrF3O2- and a molecular weight of 360.15 g/mol. Its IUPAC name is bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate.

Molecular Properties

Compound Namebromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
PubChem CID20636363
Molecular FormulaC15H11BrF3O2-
Molecular Weight360.15 g/mol
Exact Mass358.99
IUPAC Namebromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
SMILESCBr.O=C([O-])C(F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H9F3O2.CH3Br/c15-11-5-1-9(2-6-11)14(17,13(18)19)10-3-7-12(16)8-4-10;1-2/h1-8H,(H,18,19);1H3/p-1
InChIKeyUEEFCGXTLJANJI-UHFFFAOYSA-M
XLogP2.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
2,2-bis(3,4-difluorophenyl)-2-hydroxyacetate;bromomethane
CID 22044228
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-bromo-2-(4-fluorophenyl)propanal
CID 174941375
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
CID 87771670
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809
2-(4-fluorophenyl)propan-2-ol
CID 637733
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
potassium 2,2-difluoro-2-(4-methylphenyl)acetate
CID 141426164

Frequently Asked Questions

What is the IUPAC name of bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate?
The IUPAC name of bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate (CID 20636363) is bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate.
What is the SMILES notation for bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate?
The canonical SMILES for bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate is CBr.O=C([O-])C(F)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate?
The InChIKey is UEEFCGXTLJANJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9F3O2.CH3Br/c15-11-5-1-9(2-6-11)14(17,13(18)19)10-3-7-12(16)8-4-10;1-2/h1-8H,(H,18,19);1H3/p-1.
What are the key properties of bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate?
bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate has a molecular weight of 360.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate is sourced from PubChem (CID 20636363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).