1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine

C11H12BrClF3N — CID 105024152

IUPAC1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClF3N/c12-8-4-3-7(6-9(8)13)10(17)2-1-5-11(14,15)16/h3-4,6,10H,1-2,5,17H2
InChIKeyGEHCARQSBYGDCN-UHFFFAOYSA-N
MW330.57 g/mol
LogP4.83
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine

1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105024152) has the molecular formula C11H12BrClF3N and a molecular weight of 330.57 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID105024152
Molecular FormulaC11H12BrClF3N
Molecular Weight330.57 g/mol
Exact Mass328.98
IUPAC Name1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClF3N/c12-8-4-3-7(6-9(8)13)10(17)2-1-5-11(14,15)16/h3-4,6,10H,1-2,5,17H2
InChIKeyGEHCARQSBYGDCN-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024184
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171219105
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine (CID 105024152) is 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine is NC(CCCC(F)(F)F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is GEHCARQSBYGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF3N/c12-8-4-3-7(6-9(8)13)10(17)2-1-5-11(14,15)16/h3-4,6,10H,1-2,5,17H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine?
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 330.57 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105024152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).