4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol

C11H15F2NO2 — CID 105489048

IUPAC4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)C(F)(F)CN)cc1
InChIInChI=1S/C11H15F2NO2/c1-10(15,11(12,13)7-14)8-3-5-9(16-2)6-4-8/h3-6,15H,7,14H2,1-2H3
InChIKeyOGJAYSIGXDHVEW-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol

4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol (PubChem CID 105489048) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
PubChem CID105489048
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)C(F)(F)CN)cc1
InChIInChI=1S/C11H15F2NO2/c1-10(15,11(12,13)7-14)8-3-5-9(16-2)6-4-8/h3-6,15H,7,14H2,1-2H3
InChIKeyOGJAYSIGXDHVEW-UHFFFAOYSA-N
XLogP1.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
(2S)-2-hydroxy-4-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanal
CID 129383802
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol (CID 105489048) is 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol is COc1ccc(C(C)(O)C(F)(F)CN)cc1.
What is the InChIKey of 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol?
The InChIKey is OGJAYSIGXDHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-10(15,11(12,13)7-14)8-3-5-9(16-2)6-4-8/h3-6,15H,7,14H2,1-2H3.
What are the key properties of 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol?
4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol has a molecular weight of 231.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 105489048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).