2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol

C10H10BrF4NO — CID 114169005

IUPAC2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
SMILESOc1ccc(CNCC(F)(F)C(F)F)cc1Br
InChIInChI=1S/C10H10BrF4NO/c11-7-3-6(1-2-8(7)17)4-16-5-10(14,15)9(12)13/h1-3,9,16-17H,4-5H2
InChIKeyOTFOMQLMUWSMFL-UHFFFAOYSA-N
MW316.09 g/mol
LogP3.14
Rot. Bonds5

About 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol

2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol (PubChem CID 114169005) has the molecular formula C10H10BrF4NO and a molecular weight of 316.09 g/mol. Its IUPAC name is 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
PubChem CID114169005
Molecular FormulaC10H10BrF4NO
Molecular Weight316.09 g/mol
Exact Mass314.99
IUPAC Name2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
SMILESOc1ccc(CNCC(F)(F)C(F)F)cc1Br
InChIInChI=1S/C10H10BrF4NO/c11-7-3-6(1-2-8(7)17)4-16-5-10(14,15)9(12)13/h1-3,9,16-17H,4-5H2
InChIKeyOTFOMQLMUWSMFL-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[(4,4,4-trifluorobutylamino)methyl]phenol
CID 113326981
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529399
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
2,2,3,3-tetrafluoro-N-[[4-(methoxymethyl)phenyl]methyl]propan-1-amine
CID 103529393
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 63046192
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
N-[(3-bromofuran-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529690
2-bromo-4-[(2-methylpentylamino)methyl]phenol
CID 115908134
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529678
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol (CID 114169005) is 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol is Oc1ccc(CNCC(F)(F)C(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol?
The InChIKey is OTFOMQLMUWSMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4NO/c11-7-3-6(1-2-8(7)17)4-16-5-10(14,15)9(12)13/h1-3,9,16-17H,4-5H2.
What are the key properties of 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol?
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol has a molecular weight of 316.09 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol is sourced from PubChem (CID 114169005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).