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

C9H19F2NO — CID 104860647

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

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

2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol (PubChem CID 104860647) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol
PubChem CID104860647
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol
SMILESCCCCC(C)NCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-3-4-5-8(2)12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3
InChIKeySGKBHJXNYINEAN-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-2-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

Related Compounds

3-(Cyclohexylamino)propan-1-ol
CID 35737
1,1,1-Trifluoro-5-(methylamino)hexan-3-ol
CID 87223753
1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
2,2-Difluoro-3-(propan-2-ylamino)propan-1-ol
CID 104860621
1-[[(3R)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121288191
1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121290171
1-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129248192
1-[[(4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 134546129
3-Fluoro-6-(propan-2-ylamino)hexan-1-ol
CID 139538957
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol (CID 104860647) is 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol is CCCCC(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(hexan-2-ylamino)propan-1-ol?
The InChIKey is SGKBHJXNYINEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-3-4-5-8(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-2-ylamino)propan-1-ol?
2,2-difluoro-3-(hexan-2-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-2-ylamino)propan-1-ol is sourced from PubChem (CID 104860647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).