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

C9H9BrF3N — CID 97290639

IUPAC(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyVTTCARHACAQRDT-MRVPVSSYSA-N
MW268.08 g/mol
LogP3.40
Rot. Bonds2

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

(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 97290639) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID97290639
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyVTTCARHACAQRDT-MRVPVSSYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanamine
CID 95240919
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(2-bromophenyl)methanediamine
CID 22286781
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine (CID 97290639) is (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is VTTCARHACAQRDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 268.08 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 97290639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).