(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine

C9H9BrF3N — CID 97110840

IUPAC(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
SMILESN[C@H](Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyGXDITJAQJDMDOO-MRVPVSSYSA-N
MW268.08 g/mol
LogP2.88
Rot. Bonds2

About (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine

(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 97110840) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
PubChem CID97110840
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
SMILESN[C@H](Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyGXDITJAQJDMDOO-MRVPVSSYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84711182
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CID 134968828
2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115051968
1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
CID 84729687
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
CID 105087726
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine (CID 97110840) is (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine is N[C@H](Cc1ccccc1Br)C(F)(F)F.
What is the InChIKey of (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is GXDITJAQJDMDOO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1.
What are the key properties of (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine?
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 268.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 97110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).