2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline

C10H11BrClF2N — CID 107085166

IUPAC2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline
SMILESCN(CC(F)F)c1ccc(Cl)cc1CBr
InChIInChI=1S/C10H11BrClF2N/c1-15(6-10(13)14)9-3-2-8(12)4-7(9)5-11/h2-4,10H,5-6H2,1H3
InChIKeyLTWUECVRYXDJCD-UHFFFAOYSA-N
MW298.56 g/mol
LogP3.94
Rot. Bonds4

About 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline

2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline (PubChem CID 107085166) has the molecular formula C10H11BrClF2N and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline
PubChem CID107085166
Molecular FormulaC10H11BrClF2N
Molecular Weight298.56 g/mol
Exact Mass296.97
IUPAC Name2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline
SMILESCN(CC(F)F)c1ccc(Cl)cc1CBr
InChIInChI=1S/C10H11BrClF2N/c1-15(6-10(13)14)9-3-2-8(12)4-7(9)5-11/h2-4,10H,5-6H2,1H3
InChIKeyLTWUECVRYXDJCD-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
2-(bromomethyl)-4-chloro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 107084775
2-(bromomethyl)-4-chloro-N-ethyl-N-(2-methylpropyl)aniline
CID 107080090
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
2-(bromomethyl)-4-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 107084510
2-(bromomethyl)-4-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 107084755
2-(bromomethyl)-4-chloro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 107080241
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
N'-[2-(bromomethyl)-4-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107082448
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
2-(bromomethyl)-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 107082189

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline?
The IUPAC name of 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline (CID 107085166) is 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline?
The canonical SMILES for 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline is CN(CC(F)F)c1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline?
The InChIKey is LTWUECVRYXDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF2N/c1-15(6-10(13)14)9-3-2-8(12)4-7(9)5-11/h2-4,10H,5-6H2,1H3.
What are the key properties of 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline?
2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline has a molecular weight of 298.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline is sourced from PubChem (CID 107085166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).