(2R)-1-(2,2-difluoroethylamino)propan-2-ol

C5H11F2NO — CID 106932381

IUPAC(2R)-1-(2,2-difluoroethylamino)propan-2-ol
SMILESC[C@@H](O)CNCC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(9)2-8-3-5(6)7/h4-5,8-9H,2-3H2,1H3/t4-/m1/s1
InChIKeyWRBSWTWIMNBBFH-SCSAIBSYSA-N
MW139.15 g/mol
LogP0.22
Rot. Bonds4

About (2R)-1-(2,2-difluoroethylamino)propan-2-ol

(2R)-1-(2,2-difluoroethylamino)propan-2-ol (PubChem CID 106932381) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethylamino)propan-2-ol
PubChem CID106932381
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name(2R)-1-(2,2-difluoroethylamino)propan-2-ol
SMILESC[C@@H](O)CNCC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(9)2-8-3-5(6)7/h4-5,8-9H,2-3H2,1H3/t4-/m1/s1
InChIKeyWRBSWTWIMNBBFH-SCSAIBSYSA-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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Related Compounds

Diisopropanolamine
CID 8086
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177
1,1,1-Trifluoro-3-[(3-methoxypropyl)amino]-2-propanol
CID 2768007
1-(Methylamino)propan-2-ol
CID 86049
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
1-(Ethylamino)propan-2-ol
CID 3016164
2-Propanol, 1,1'-iminobis-, hydrofluoride (1:1)
CID 88052572
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
(2R)-1-(methylamino)propan-2-ol
CID 12572574
2-[(2,2,2-Trifluoroethyl)amino]ethan-1-ol
CID 14513794
1-(Ethylamino)butan-2-ol
CID 19804546
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2,2-difluoroethylamino)propan-2-ol (CID 106932381) is (2R)-1-(2,2-difluoroethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,2-difluoroethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2,2-difluoroethylamino)propan-2-ol is C[C@@H](O)CNCC(F)F.
What is the InChIKey of (2R)-1-(2,2-difluoroethylamino)propan-2-ol?
The InChIKey is WRBSWTWIMNBBFH-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(9)2-8-3-5(6)7/h4-5,8-9H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoroethylamino)propan-2-ol?
(2R)-1-(2,2-difluoroethylamino)propan-2-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 (2R)-1-(2,2-difluoroethylamino)propan-2-ol is sourced from PubChem (CID 106932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).