3-amino-1,1-difluoro-1-phenylbutan-2-ol

C10H13F2NO — CID 84669970

IUPAC3-amino-1,1-difluoro-1-phenylbutan-2-ol
SMILESCC(N)C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NO/c1-7(13)9(14)10(11,12)8-5-3-2-4-6-8/h2-7,9,14H,13H2,1H3
InChIKeyBRYUSJSUIDKKNZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.49
Rot. Bonds3

About 3-amino-1,1-difluoro-1-phenylbutan-2-ol

3-amino-1,1-difluoro-1-phenylbutan-2-ol (PubChem CID 84669970) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-amino-1,1-difluoro-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1-difluoro-1-phenylbutan-2-ol
PubChem CID84669970
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-amino-1,1-difluoro-1-phenylbutan-2-ol
SMILESCC(N)C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C10H13F2NO/c1-7(13)9(14)10(11,12)8-5-3-2-4-6-8/h2-7,9,14H,13H2,1H3
InChIKeyBRYUSJSUIDKKNZ-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-difluoro-1-phenylbutan-2-ol?
The IUPAC name of 3-amino-1,1-difluoro-1-phenylbutan-2-ol (CID 84669970) is 3-amino-1,1-difluoro-1-phenylbutan-2-ol.
What is the SMILES notation for 3-amino-1,1-difluoro-1-phenylbutan-2-ol?
The canonical SMILES for 3-amino-1,1-difluoro-1-phenylbutan-2-ol is CC(N)C(O)C(F)(F)c1ccccc1.
What is the InChIKey of 3-amino-1,1-difluoro-1-phenylbutan-2-ol?
The InChIKey is BRYUSJSUIDKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7(13)9(14)10(11,12)8-5-3-2-4-6-8/h2-7,9,14H,13H2,1H3.
What are the key properties of 3-amino-1,1-difluoro-1-phenylbutan-2-ol?
3-amino-1,1-difluoro-1-phenylbutan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-difluoro-1-phenylbutan-2-ol is sourced from PubChem (CID 84669970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).