(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride

C8H7BrClF4N — CID 171248107

IUPAC(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)ccc(Br)c1F)C(F)F
InChIInChI=1S/C8H6BrF4N.ClH/c9-3-1-2-4(10)5(6(3)11)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m0./s1
InChIKeySZPXLUMTFCKDQB-FJXQXJEOSA-N
MW308.50 g/mol
LogP3.41
Rot. Bonds2

About (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride

(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 171248107) has the molecular formula C8H7BrClF4N and a molecular weight of 308.50 g/mol. Its IUPAC name is (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID171248107
Molecular FormulaC8H7BrClF4N
Molecular Weight308.50 g/mol
Exact Mass306.94
IUPAC Name(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)ccc(Br)c1F)C(F)F
InChIInChI=1S/C8H6BrF4N.ClH/c9-3-1-2-4(10)5(6(3)11)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m0./s1
InChIKeySZPXLUMTFCKDQB-FJXQXJEOSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268152
(1R)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313666
(1S)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313035
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(1S)-1-(3-bromo-2,6-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171224707
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268166
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171268162
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride (CID 171248107) is (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](c1c(F)ccc(Br)c1F)C(F)F.
What is the InChIKey of (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is SZPXLUMTFCKDQB-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H6BrF4N.ClH/c9-3-1-2-4(10)5(6(3)11)7(14)8(12)13;/h1-2,7-8H,14H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride?
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 308.50 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171248107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).