3-(2,2-difluoroethylamino)butan-1-ol

C6H13F2NO — CID 83176464

IUPAC3-(2,2-difluoroethylamino)butan-1-ol
SMILESCC(CCO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(2-3-10)9-4-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyIRFVLPNUMPCDMN-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds5

About 3-(2,2-difluoroethylamino)butan-1-ol

3-(2,2-difluoroethylamino)butan-1-ol (PubChem CID 83176464) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)butan-1-ol
PubChem CID83176464
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3-(2,2-difluoroethylamino)butan-1-ol
SMILESCC(CCO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(2-3-10)9-4-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyIRFVLPNUMPCDMN-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)butan-1-ol?
The IUPAC name of 3-(2,2-difluoroethylamino)butan-1-ol (CID 83176464) is 3-(2,2-difluoroethylamino)butan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethylamino)butan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethylamino)butan-1-ol is CC(CCO)NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)butan-1-ol?
The InChIKey is IRFVLPNUMPCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(2-3-10)9-4-6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoroethylamino)butan-1-ol?
3-(2,2-difluoroethylamino)butan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)butan-1-ol is sourced from PubChem (CID 83176464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).