(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine

C9H9BrF3N — CID 131494650

IUPAC(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrF3N/c10-7-3-5(11)1-2-6(7)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1
InChIKeyILRAWQWJOREYPJ-MRVPVSSYSA-N
MW268.08 g/mol
LogP3.24
Rot. Bonds3

About (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine

(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine (PubChem CID 131494650) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
PubChem CID131494650
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrF3N/c10-7-3-5(11)1-2-6(7)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1
InChIKeyILRAWQWJOREYPJ-MRVPVSSYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
1-(2-bromo-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 105013400
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-1-amine
CID 105004259
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine (CID 131494650) is (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine is N[C@H](CC(F)F)c1ccc(F)cc1Br.
What is the InChIKey of (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine?
The InChIKey is ILRAWQWJOREYPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c10-7-3-5(11)1-2-6(7)8(14)4-9(12)13/h1-3,8-9H,4,14H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine?
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine has a molecular weight of 268.08 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 131494650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).