3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol

C10H13F3N2O — CID 169261503

IUPAC3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCC(F)(F)C(O)CNCc1ncccc1F
InChIInChI=1S/C10H13F3N2O/c1-10(12,13)9(16)6-14-5-8-7(11)3-2-4-15-8/h2-4,9,14,16H,5-6H2,1H3
InChIKeyUMOIRLPAUOCDTI-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.33
Rot. Bonds5

About 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol

3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol (PubChem CID 169261503) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
PubChem CID169261503
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCC(F)(F)C(O)CNCc1ncccc1F
InChIInChI=1S/C10H13F3N2O/c1-10(12,13)9(16)6-14-5-8-7(11)3-2-4-15-8/h2-4,9,14,16H,5-6H2,1H3
InChIKeyUMOIRLPAUOCDTI-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The IUPAC name of 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol (CID 169261503) is 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol.
What is the SMILES notation for 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The canonical SMILES for 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol is CC(F)(F)C(O)CNCc1ncccc1F.
What is the InChIKey of 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The InChIKey is UMOIRLPAUOCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-10(12,13)9(16)6-14-5-8-7(11)3-2-4-15-8/h2-4,9,14,16H,5-6H2,1H3.
What are the key properties of 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol is sourced from PubChem (CID 169261503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).