2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol

C9H19F2NO — CID 104860642

IUPAC2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol
SMILESCCCC(CC)NCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-3-5-8(4-2)12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3
InChIKeyYXJNVHVBVVCYJE-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds7

About 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol

2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol (PubChem CID 104860642) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol
PubChem CID104860642
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol
SMILESCCCC(CC)NCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-3-5-8(4-2)12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3
InChIKeyYXJNVHVBVVCYJE-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-(hexan-3-ylamino)propan-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 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol (CID 104860642) is 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol is CCCC(CC)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol?
The InChIKey is YXJNVHVBVVCYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-5-8(4-2)12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol?
2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(hexan-3-ylamino)propan-1-ol is sourced from PubChem (CID 104860642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).