4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol

C10H9BrF3NO — CID 84815573

IUPAC4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
SMILESNC1(c2cc(Br)c(O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9BrF3NO/c11-7-4-5(9(15)1-2-9)3-6(8(7)16)10(12,13)14/h3-4,16H,1-2,15H2
InChIKeyGYODJFNHMAGJPI-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.12
Rot. Bonds1

About 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol

4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol (PubChem CID 84815573) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
PubChem CID84815573
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
SMILESNC1(c2cc(Br)c(O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9BrF3NO/c11-7-4-5(9(15)1-2-9)3-6(8(7)16)10(12,13)14/h3-4,16H,1-2,15H2
InChIKeyGYODJFNHMAGJPI-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol (CID 84815573) is 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol is NC1(c2cc(Br)c(O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol?
The InChIKey is GYODJFNHMAGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-7-4-5(9(15)1-2-9)3-6(8(7)16)10(12,13)14/h3-4,16H,1-2,15H2.
What are the key properties of 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol?
4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol has a molecular weight of 296.09 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol is sourced from PubChem (CID 84815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).