3,3-difluoro-1-(2-methylpropylamino)butan-2-ol

C8H17F2NO — CID 161229803

IUPAC3,3-difluoro-1-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCC(O)C(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)4-11-5-7(12)8(3,9)10/h6-7,11-12H,4-5H2,1-3H3
InChIKeyCORYBEXAHCHXTN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds5

About 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol

3,3-difluoro-1-(2-methylpropylamino)butan-2-ol (PubChem CID 161229803) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropylamino)butan-2-ol
PubChem CID161229803
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3,3-difluoro-1-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCC(O)C(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)4-11-5-7(12)8(3,9)10/h6-7,11-12H,4-5H2,1-3H3
InChIKeyCORYBEXAHCHXTN-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol (CID 161229803) is 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol is CC(C)CNCC(O)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol?
The InChIKey is CORYBEXAHCHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)4-11-5-7(12)8(3,9)10/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol?
3,3-difluoro-1-(2-methylpropylamino)butan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 161229803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).