3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol

C11H15BrFNO — CID 81414519

IUPAC3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,7-15)6-14-10-5-8(12)3-4-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyFBHREQVESWJKLR-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.02
Rot. Bonds4

About 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol

3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol (PubChem CID 81414519) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
PubChem CID81414519
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-11(2,7-15)6-14-10-5-8(12)3-4-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyFBHREQVESWJKLR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222052
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
1-N-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 115200416
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81413768
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol (CID 81414519) is 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is FBHREQVESWJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,7-15)6-14-10-5-8(12)3-4-9(10)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).