(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol

C11H15F2NO2 — CID 171241497

IUPAC(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCCOc1cccc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(6-9)10(14)11(12,13)7-15/h3-6,10,15H,2,7,14H2,1H3/t10-/m1/s1
InChIKeyUGCNKECGSSQCAR-SNVBAGLBSA-N
MW231.24 g/mol
LogP1.71
Rot. Bonds5

About (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol

(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol (PubChem CID 171241497) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
PubChem CID171241497
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCCOc1cccc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(6-9)10(14)11(12,13)7-15/h3-6,10,15H,2,7,14H2,1H3/t10-/m1/s1
InChIKeyUGCNKECGSSQCAR-SNVBAGLBSA-N
XLogP1.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
ethyl (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171241487
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2-ethoxyphenol;hydrochloride
CID 171246598
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
(3S)-3-amino-2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 171249837
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol (CID 171241497) is (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol is CCOc1cccc([C@@H](N)C(F)(F)CO)c1.
What is the InChIKey of (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is UGCNKECGSSQCAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-16-9-5-3-4-8(6-9)10(14)11(12,13)7-15/h3-6,10,15H,2,7,14H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 231.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171241497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).