(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8BrClF3N — CID 131294993

IUPAC(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrClF3N/c10-7-2-1-5(11)3-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyWGMVKYZSZPRKAL-MRVPVSSYSA-N
MW302.52 g/mol
LogP4.05
Rot. Bonds2

About (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine

(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 131294993) has the molecular formula C9H8BrClF3N and a molecular weight of 302.52 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID131294993
Molecular FormulaC9H8BrClF3N
Molecular Weight302.52 g/mol
Exact Mass300.95
IUPAC Name(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H8BrClF3N/c10-7-2-1-5(11)3-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1
InChIKeyWGMVKYZSZPRKAL-MRVPVSSYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240921
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
(1R)-1-(2-bromo-5-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171203724
1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
CID 103846559
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine (CID 131294993) is (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1cc(Cl)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is WGMVKYZSZPRKAL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8BrClF3N/c10-7-2-1-5(11)3-6(7)8(15)4-9(12,13)14/h1-3,8H,4,15H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 302.52 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 131294993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).