1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene

C10H9Br2FO — CID 11347888

IUPAC1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene
SMILESCOCc1cc(F)ccc1C=C(Br)Br
InChIInChI=1S/C10H9Br2FO/c1-14-6-8-4-9(13)3-2-7(8)5-10(11)12/h2-5H,6H2,1H3
InChIKeyHTDOGPRPRVUTHM-UHFFFAOYSA-N
MW323.99 g/mol
LogP4.06
Rot. Bonds3

About 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene

1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene (PubChem CID 11347888) has the molecular formula C10H9Br2FO and a molecular weight of 323.99 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene
PubChem CID11347888
Molecular FormulaC10H9Br2FO
Molecular Weight323.99 g/mol
Exact Mass321.90
IUPAC Name1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene
SMILESCOCc1cc(F)ccc1C=C(Br)Br
InChIInChI=1S/C10H9Br2FO/c1-14-6-8-4-9(13)3-2-7(8)5-10(11)12/h2-5H,6H2,1H3
InChIKeyHTDOGPRPRVUTHM-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
CID 130531997
1-ethynyl-4-fluoro-2-(methoxymethyl)benzene
CID 143664546
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
4-fluoro-2-(methoxymethyl)benzenecarbothioamide
CID 64765248
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene?
The IUPAC name of 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene (CID 11347888) is 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene is COCc1cc(F)ccc1C=C(Br)Br.
What is the InChIKey of 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene?
The InChIKey is HTDOGPRPRVUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO/c1-14-6-8-4-9(13)3-2-7(8)5-10(11)12/h2-5H,6H2,1H3.
What are the key properties of 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene?
1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene has a molecular weight of 323.99 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-4-fluoro-2-(methoxymethyl)benzene is sourced from PubChem (CID 11347888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).