(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine

C10H11BrF3N — CID 171401170

IUPAC(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN[C@@H](c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9,15H,2H2,1H3/t9-/m0/s1
InChIKeyFIWFKYKEIKCPGA-VIFPVBQESA-N
MW282.10 g/mol
LogP3.66
Rot. Bonds3

About (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine

(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 171401170) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID171401170
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN[C@@H](c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9,15H,2H2,1H3/t9-/m0/s1
InChIKeyFIWFKYKEIKCPGA-VIFPVBQESA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 171401170) is (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine is CCN[C@@H](c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is FIWFKYKEIKCPGA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9,15H,2H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
(1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 171401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).