1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride

C8H9BrClF2N — CID 135057267

IUPAC1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NC(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C8H8BrF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H
InChIKeyACHCXLPCNPXNTF-UHFFFAOYSA-N
MW272.52 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride

1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 135057267) has the molecular formula C8H9BrClF2N and a molecular weight of 272.52 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID135057267
Molecular FormulaC8H9BrClF2N
Molecular Weight272.52 g/mol
Exact Mass270.96
IUPAC Name1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NC(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C8H8BrF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H
InChIKeyACHCXLPCNPXNTF-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride (CID 135057267) is 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.NC(c1ccc(Br)cc1)C(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is ACHCXLPCNPXNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H.
What are the key properties of 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride?
1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 272.52 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 135057267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).