(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride

C11H16ClF2NO2 — CID 171247121

IUPAC(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCCOc1ccccc1[C@H](N)C(F)(F)CO.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-2-16-9-6-4-3-5-8(9)10(14)11(12,13)7-15;/h3-6,10,15H,2,7,14H2,1H3;1H/t10-;/m0./s1
InChIKeyBMLMZTHIAYOVOZ-PPHPATTJSA-N
MW267.70 g/mol
LogP2.13
Rot. Bonds5

About (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171247121) has the molecular formula C11H16ClF2NO2 and a molecular weight of 267.70 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171247121
Molecular FormulaC11H16ClF2NO2
Molecular Weight267.70 g/mol
Exact Mass267.08
IUPAC Name(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCCOc1ccccc1[C@H](N)C(F)(F)CO.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-2-16-9-6-4-3-5-8(9)10(14)11(12,13)7-15;/h3-6,10,15H,2,7,14H2,1H3;1H/t10-;/m0./s1
InChIKeyBMLMZTHIAYOVOZ-PPHPATTJSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512
(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171250247
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
CID 171248235
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2-ethoxyphenol;hydrochloride
CID 171246598
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171246564

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171247121) is (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride is CCOc1ccccc1[C@H](N)C(F)(F)CO.Cl.
What is the InChIKey of (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is BMLMZTHIAYOVOZ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15F2NO2.ClH/c1-2-16-9-6-4-3-5-8(9)10(14)11(12,13)7-15;/h3-6,10,15H,2,7,14H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 267.70 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171247121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).