1-(3,4-difluoroanilino)-2-methylpropan-2-ol

C10H13F2NO — CID 22049581

IUPAC1-(3,4-difluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyOEBDISZZUQLBQA-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.15
Rot. Bonds3

About 1-(3,4-difluoroanilino)-2-methylpropan-2-ol

1-(3,4-difluoroanilino)-2-methylpropan-2-ol (PubChem CID 22049581) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3,4-difluoroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluoroanilino)-2-methylpropan-2-ol
PubChem CID22049581
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3,4-difluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3
InChIKeyOEBDISZZUQLBQA-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,4-difluoroanilino)-2-methylpropan-2-ol (CID 22049581) is 1-(3,4-difluoroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,4-difluoroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,4-difluoroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluoroanilino)-2-methylpropan-2-ol?
The InChIKey is OEBDISZZUQLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-10(2,14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 1-(3,4-difluoroanilino)-2-methylpropan-2-ol?
1-(3,4-difluoroanilino)-2-methylpropan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 22049581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).