(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

C10H9BrF3N — CID 131485773

IUPAC(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3N/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h2-5,9H,1,15H2/t9-/m1/s1
InChIKeyXNDPJLAOLSIKQX-SECBINFHSA-N
MW280.09 g/mol
LogP3.65
Rot. Bonds2

About (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 131485773) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID131485773
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3N/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h2-5,9H,1,15H2/t9-/m1/s1
InChIKeyXNDPJLAOLSIKQX-SECBINFHSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromo-5-methylphenyl)prop-2-en-1-amine
CID 130663763
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171226723
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130
1-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165187
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226710
(1S,2R)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171268800
methyl (2R)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171226749
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 171235756
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 70189456
4-amino-4-[3-bromo-5-(trifluoromethyl)phenyl]butanoic acid
CID 117116026
(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
CID 171314429

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 131485773) is (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is C=C[C@@H](N)c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is XNDPJLAOLSIKQX-SECBINFHSA-N. The full InChI is InChI=1S/C10H9BrF3N/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h2-5,9H,1,15H2/t9-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 280.09 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 131485773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).