1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine

C7H5BrF4N2 — CID 23234903

IUPAC1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine
SMILESFN(F)C(Br)(c1ccccc1)N(F)F
InChIInChI=1S/C7H5BrF4N2/c8-7(13(9)10,14(11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyXQAWPHWGXCJEHO-UHFFFAOYSA-N
MW273.03 g/mol
LogP3.33
Rot. Bonds3

About 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine

1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine (PubChem CID 23234903) has the molecular formula C7H5BrF4N2 and a molecular weight of 273.03 g/mol. Its IUPAC name is 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine.

Molecular Properties

Compound Name1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine
PubChem CID23234903
Molecular FormulaC7H5BrF4N2
Molecular Weight273.03 g/mol
Exact Mass271.96
IUPAC Name1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine
SMILESFN(F)C(Br)(c1ccccc1)N(F)F
InChIInChI=1S/C7H5BrF4N2/c8-7(13(9)10,14(11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyXQAWPHWGXCJEHO-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.03
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1,1-dibromo-2,2,2-trifluoroethyl)benzene
CID 12702818
diphenylmethanediol;dihydrochloride
CID 174953837
(1-bromo-1-phenylethyl)benzene
CID 19019197
[bromo(diiodo)methyl]benzene
CID 152582923
1,1,2,2,2-pentabromoethylbenzene
CID 159349505
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2-chloro-N-(2-chloroethyl)-N-tritylethanamine
CID 4195463
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine
CID 88711202
ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1-difluoroethylbenzene
CID 10942535

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine?
The IUPAC name of 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine (CID 23234903) is 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine.
What is the SMILES notation for 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine?
The canonical SMILES for 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine is FN(F)C(Br)(c1ccccc1)N(F)F.
What is the InChIKey of 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine?
The InChIKey is XQAWPHWGXCJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2/c8-7(13(9)10,14(11)12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine?
1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine has a molecular weight of 273.03 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N,N',N'-tetrafluoro-1-phenylmethanediamine is sourced from PubChem (CID 23234903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).