2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine

C9H8BrClF3NO — CID 43752950

IUPAC2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H8BrClF3NO/c10-5-1-2-7(6(11)3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyRPZLODWYDFHQHM-UHFFFAOYSA-N
MW318.52 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine

2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752950) has the molecular formula C9H8BrClF3NO and a molecular weight of 318.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID43752950
Molecular FormulaC9H8BrClF3NO
Molecular Weight318.52 g/mol
Exact Mass316.94
IUPAC Name2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H8BrClF3NO/c10-5-1-2-7(6(11)3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyRPZLODWYDFHQHM-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
2-chloro-4-propan-2-yl-1-(1,1,1-trifluorobutan-2-yloxy)benzene
CID 171848688
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 63879499
2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752972
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43752905
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979
2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 134690956
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine (CID 43752950) is 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine is NCC(Oc1ccc(Br)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is RPZLODWYDFHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF3NO/c10-5-1-2-7(6(11)3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine?
2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 318.52 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).