1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene

C13H8BrF2NO — CID 123576309

IUPAC1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene
SMILESO=NC(c1ccc(F)cc1)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrF2NO/c14-11-3-1-2-10(12(11)16)13(17-18)8-4-6-9(15)7-5-8/h1-7,13H
InChIKeyCCLGDSHXNXCLRG-UHFFFAOYSA-N
MW312.11 g/mol
LogP4.58
Rot. Bonds3

About 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene

1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene (PubChem CID 123576309) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene
PubChem CID123576309
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene
SMILESO=NC(c1ccc(F)cc1)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrF2NO/c14-11-3-1-2-10(12(11)16)13(17-18)8-4-6-9(15)7-5-8/h1-7,13H
InChIKeyCCLGDSHXNXCLRG-UHFFFAOYSA-N
XLogP4.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 44561008
(4-Bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride
CID 45791636
(4-Bromo-2-fluorophenyl)(phenyl)methanamine
CID 24690813
(3-Bromophenyl)(3-fluorophenyl)methanamine
CID 60819846
(4-Bromophenyl)-(2-fluorophenyl)methanamine
CID 19915062
(4-Bromophenyl)-(4-fluorophenyl)methanamine
CID 24689339
[(4-Bromophenyl)(2,4-difluorophenyl)methyl]amine
CID 24697679
1-Bromo-2-fluoro-3-(nitrosomethyl)benzene
CID 54204656
[(1R)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]azanium
CID 58611164
1-(3-Bromo-5-fluorophenyl)pent-4-en-1-amine
CID 66425661
(4-Bromophenyl)(2,4-difluorophenyl)methyl azide
CID 86636509
4-Bromo-1-fluoro-2-nitromethyl-benzene
CID 86650270

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene?
The IUPAC name of 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene (CID 123576309) is 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene?
The canonical SMILES for 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene is O=NC(c1ccc(F)cc1)c1cccc(Br)c1F.
What is the InChIKey of 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene?
The InChIKey is CCLGDSHXNXCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-11-3-1-2-10(12(11)16)13(17-18)8-4-6-9(15)7-5-8/h1-7,13H.
What are the key properties of 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene?
1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene has a molecular weight of 312.11 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene is sourced from PubChem (CID 123576309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).