1-(3-bromophenyl)-2,2-difluoroethanamine

C8H8BrF2N — CID 84699210

IUPAC1-(3-bromophenyl)-2,2-difluoroethanamine
SMILESNC(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2
InChIKeySTMYELSJQNSXEM-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.71
Rot. Bonds2

About 1-(3-bromophenyl)-2,2-difluoroethanamine

1-(3-bromophenyl)-2,2-difluoroethanamine (PubChem CID 84699210) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2-difluoroethanamine
PubChem CID84699210
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name1-(3-bromophenyl)-2,2-difluoroethanamine
SMILESNC(c1cccc(Br)c1)C(F)F
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2
InChIKeySTMYELSJQNSXEM-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

amino-(3-bromophenyl)methanethiol
CID 116939544
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
CID 57425763
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
ethyl (3S)-3-amino-3-(3-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171245971

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2-difluoroethanamine?
The IUPAC name of 1-(3-bromophenyl)-2,2-difluoroethanamine (CID 84699210) is 1-(3-bromophenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2,2-difluoroethanamine is NC(c1cccc(Br)c1)C(F)F.
What is the InChIKey of 1-(3-bromophenyl)-2,2-difluoroethanamine?
The InChIKey is STMYELSJQNSXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2.
What are the key properties of 1-(3-bromophenyl)-2,2-difluoroethanamine?
1-(3-bromophenyl)-2,2-difluoroethanamine has a molecular weight of 236.06 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 84699210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).