1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene

C13H9BrFNO — CID 123555460

IUPAC1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,13H
InChIKeyBTHXXCXJWSQFAX-UHFFFAOYSA-N
MW294.12 g/mol
LogP4.44
Rot. Bonds3

About 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene

1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene (PubChem CID 123555460) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene
PubChem CID123555460
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,13H
InChIKeyBTHXXCXJWSQFAX-UHFFFAOYSA-N
XLogP4.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 54.44
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
1-bromo-4-[(1S,2S)-1-fluoro-1,3-dinitro-1-phenylpropan-2-yl]benzene
CID 139185321
(4-Bromo-2-fluorophenyl)(phenyl)methanamine
CID 24690813
(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine
CID 25324474
(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-(3-Bromo-4-fluorophenyl)ethan-1-amine
CID 43426878
4-Bromo-2-fluoro-1-(nitrosomethyl)benzene
CID 53665531
1-Bromo-2-fluoro-3-(nitrosomethyl)benzene
CID 54204656

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene (CID 123555460) is 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene is O=NC(c1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene?
The InChIKey is BTHXXCXJWSQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,13H.
What are the key properties of 1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene?
1-bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene has a molecular weight of 294.12 g/mol, XLogP of 4.44, 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-[nitroso(phenyl)methyl]benzene is sourced from PubChem (CID 123555460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).