1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

C10H11BrF3N — CID 116914390

IUPAC1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyNNYFXMNBXCXQCR-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.61
Rot. Bonds2

About 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 116914390) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID116914390
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyNNYFXMNBXCXQCR-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl] acetate
CID 102527311
3-[(3-bromophenyl)-(dimethylamino)methyl]benzoic acid
CID 116908426
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
CID 143865225
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 116914390) is 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is CN(C)C(c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is NNYFXMNBXCXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-15(2)9(10(12,13)14)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 116914390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).