4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline

C12H14BrF2NO — CID 65467440

IUPAC4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1cc(Br)cc(F)c1NCCC1CCCO1
InChIInChI=1S/C12H14BrF2NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2
InChIKeyOOLJXHVFMXVGSC-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline

4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 65467440) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID65467440
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1cc(Br)cc(F)c1NCCC1CCCO1
InChIInChI=1S/C12H14BrF2NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2
InChIKeyOOLJXHVFMXVGSC-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline (CID 65467440) is 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline is Fc1cc(Br)cc(F)c1NCCC1CCCO1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is OOLJXHVFMXVGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-8-6-10(14)12(11(15)7-8)16-4-3-9-2-1-5-17-9/h6-7,9,16H,1-5H2.
What are the key properties of 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 306.15 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 65467440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).