3,3-difluoro-4-(methylamino)butan-1-ol

C5H11F2NO — CID 134297415

IUPAC3,3-difluoro-4-(methylamino)butan-1-ol
SMILESCNCC(F)(F)CCO
InChIInChI=1S/C5H11F2NO/c1-8-4-5(6,7)2-3-9/h8-9H,2-4H2,1H3
InChIKeyQBKHCNJNXYHCJY-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.22
Rot. Bonds4

About 3,3-difluoro-4-(methylamino)butan-1-ol

3,3-difluoro-4-(methylamino)butan-1-ol (PubChem CID 134297415) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3,3-difluoro-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-4-(methylamino)butan-1-ol
PubChem CID134297415
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3,3-difluoro-4-(methylamino)butan-1-ol
SMILESCNCC(F)(F)CCO
InChIInChI=1S/C5H11F2NO/c1-8-4-5(6,7)2-3-9/h8-9H,2-4H2,1H3
InChIKeyQBKHCNJNXYHCJY-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(methylamino)butan-1-ol?
The IUPAC name of 3,3-difluoro-4-(methylamino)butan-1-ol (CID 134297415) is 3,3-difluoro-4-(methylamino)butan-1-ol.
What is the SMILES notation for 3,3-difluoro-4-(methylamino)butan-1-ol?
The canonical SMILES for 3,3-difluoro-4-(methylamino)butan-1-ol is CNCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-4-(methylamino)butan-1-ol?
The InChIKey is QBKHCNJNXYHCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-8-4-5(6,7)2-3-9/h8-9H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-4-(methylamino)butan-1-ol?
3,3-difluoro-4-(methylamino)butan-1-ol has a molecular weight of 139.15 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(methylamino)butan-1-ol is sourced from PubChem (CID 134297415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).