1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene

C14H19Br2F — CID 79453288

IUPAC1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene
SMILESCC(C)CC(CBr)(CBr)Cc1ccccc1F
InChIInChI=1S/C14H19Br2F/c1-11(2)7-14(9-15,10-16)8-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3
InChIKeyQWMDMTBBDGCVMU-UHFFFAOYSA-N
MW366.11 g/mol
LogP5.19
Rot. Bonds6

About 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene

1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene (PubChem CID 79453288) has the molecular formula C14H19Br2F and a molecular weight of 366.11 g/mol. Its IUPAC name is 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene
PubChem CID79453288
Molecular FormulaC14H19Br2F
Molecular Weight366.11 g/mol
Exact Mass363.98
IUPAC Name1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene
SMILESCC(C)CC(CBr)(CBr)Cc1ccccc1F
InChIInChI=1S/C14H19Br2F/c1-11(2)7-14(9-15,10-16)8-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3
InChIKeyQWMDMTBBDGCVMU-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.11
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluorobenzene
CID 79448312
4-[2,2-bis(bromomethyl)-4-methylpentyl]-2-bromo-1-fluorobenzene
CID 79453796
2-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 112654949
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
3-(2-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834242
1-[2,2-bis(chloromethyl)-4-methylpentyl]-4-chloro-2-fluorobenzene
CID 114862219
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450807
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 102863925
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 107859641
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-fluorobenzene
CID 83143186

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene?
The IUPAC name of 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene (CID 79453288) is 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene.
What is the SMILES notation for 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene?
The canonical SMILES for 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene is CC(C)CC(CBr)(CBr)Cc1ccccc1F.
What is the InChIKey of 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene?
The InChIKey is QWMDMTBBDGCVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2F/c1-11(2)7-14(9-15,10-16)8-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene?
1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene has a molecular weight of 366.11 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(bromomethyl)-4-methylpentyl]-2-fluorobenzene is sourced from PubChem (CID 79453288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).