4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol

C11H15BrFNO — CID 104952393

IUPAC4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,15)5-6-14-10-7-8(13)3-4-9(10)12/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyFFOGHAHSUPVOKG-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.16
Rot. Bonds4

About 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol

4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol (PubChem CID 104952393) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
PubChem CID104952393
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,15)5-6-14-10-7-8(13)3-4-9(10)12/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyFFOGHAHSUPVOKG-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
CID 79359581
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
3-(2-bromo-5-fluoroanilino)propanoic acid
CID 107635600
4-(4-bromo-3-fluoroanilino)-2-methylbutan-2-ol
CID 79356094
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-bromo-N-[(E)-but-2-enyl]-5-fluoroaniline
CID 107899369
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
CID 107635868
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
3-[(2-bromo-5-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107628841
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol (CID 104952393) is 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol is CC(C)(O)CCNc1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol?
The InChIKey is FFOGHAHSUPVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,15)5-6-14-10-7-8(13)3-4-9(10)12/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol?
4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 104952393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).