1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol

C10H13BrFNO2 — CID 107636062

IUPAC1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-6-8(14)5-13-10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6H2,1H3
InChIKeyIWCWMXMLYIRNHA-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.01
Rot. Bonds5

About 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol

1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol (PubChem CID 107636062) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
PubChem CID107636062
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-6-8(14)5-13-10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6H2,1H3
InChIKeyIWCWMXMLYIRNHA-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol (CID 107636062) is 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol is COCC(O)CNc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol?
The InChIKey is IWCWMXMLYIRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-15-6-8(14)5-13-10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6H2,1H3.
What are the key properties of 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol?
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol has a molecular weight of 278.12 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 107636062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).