(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol

C13H19F2NO2 — CID 107480997

IUPAC(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(CCO)CC(F)F
InChIInChI=1S/C13H19F2NO2/c1-2-12(18)10-5-3-4-6-11(10)16(7-8-17)9-13(14)15/h3-6,12-13,17-18H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyYDUQPXSCIKVHCD-GFCCVEGCSA-N
MW259.30 g/mol
LogP2.19
Rot. Bonds7

About (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol

(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol (PubChem CID 107480997) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
PubChem CID107480997
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(CCO)CC(F)F
InChIInChI=1S/C13H19F2NO2/c1-2-12(18)10-5-3-4-6-11(10)16(7-8-17)9-13(14)15/h3-6,12-13,17-18H,2,7-9H2,1H3/t12-/m1/s1
InChIKeyYDUQPXSCIKVHCD-GFCCVEGCSA-N
XLogP2.19
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol (CID 107480997) is (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(CCO)CC(F)F.
What is the InChIKey of (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol?
The InChIKey is YDUQPXSCIKVHCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-2-12(18)10-5-3-4-6-11(10)16(7-8-17)9-13(14)15/h3-6,12-13,17-18H,2,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol?
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 107480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).