1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine

C14H10BrClF3N — CID 175254628

IUPAC1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H10BrClF3N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2
InChIKeyZVDIUFTYEQHXEB-UHFFFAOYSA-N
MW364.59 g/mol
LogP4.87
Rot. Bonds2

About 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine

1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine (PubChem CID 175254628) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
PubChem CID175254628
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H10BrClF3N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2
InChIKeyZVDIUFTYEQHXEB-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-4-[(4-chlorophenyl)-difluoromethyl]benzene
CID 20080879
(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
CID 70957006
(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
CID 123279976
(1R,2S)-2-azido-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propan-1-amine
CID 123891001
1-Bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene
CID 126619244
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
CID 147397745
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 149282079
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-phenylethanamine
CID 149413302
(1S)-1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
CID 149576393
1-(4-Bromophenyl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
CID 175254126
1-(4-Bromophenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 175254179
1-(4-Bromophenyl)-2,2,2-trifluoro-1-phenylethanamine
CID 175254352

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine (CID 175254628) is 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine is NC(c1ccc(Cl)cc1)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The InChIKey is ZVDIUFTYEQHXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8H,20H2.
What are the key properties of 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine has a molecular weight of 364.59 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 175254628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).