3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine

C9H9BrF3N — CID 106273471

IUPAC3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C9H9BrF3N/c10-7-1-2-8(12)6(9(7)13)3-5(11)4-14/h1-2,5H,3-4,14H2
InChIKeyLZILWWBNUCPGDX-UHFFFAOYSA-N
MW268.08 g/mol
LogP2.57
Rot. Bonds3

About 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine

3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine (PubChem CID 106273471) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
PubChem CID106273471
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C9H9BrF3N/c10-7-1-2-8(12)6(9(7)13)3-5(11)4-14/h1-2,5H,3-4,14H2
InChIKeyLZILWWBNUCPGDX-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.57
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

2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)propan-1-ol
CID 106272227
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
5-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pentanoic acid
CID 106272427
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]propan-1-amine
CID 106264259
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine (CID 106273471) is 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine is NCC(F)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine?
The InChIKey is LZILWWBNUCPGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c10-7-1-2-8(12)6(9(7)13)3-5(11)4-14/h1-2,5H,3-4,14H2.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine has a molecular weight of 268.08 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 106273471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).