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

C11H15ClFNO — CID 81413950

IUPAC3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)6-14-10-5-8(12)3-4-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyGTHYTIOHODRHQD-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.91
Rot. Bonds4

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

3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol (PubChem CID 81413950) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
PubChem CID81413950
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO/c1-11(2,7-15)6-14-10-5-8(12)3-4-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyGTHYTIOHODRHQD-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81413768
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
methyl 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643931
2,4-difluoro-5-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 81410924
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
CID 61472351
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
[4-fluoro-3-(2,2,2-trifluoroethylamino)phenyl]methanol
CID 91361402
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
1-N-(5-chloro-2-fluorophenyl)-4-methylpentane-1,4-diamine
CID 115205164

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol (CID 81413950) is 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is GTHYTIOHODRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/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-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol?
3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).