(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride

C11H16ClF2NO2 — CID 171262763

IUPAC(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-2-9(15)10(14)7-4-3-5-8(6-7)16-11(12)13;/h3-6,9-11,15H,2,14H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyHYSFRBVIMGWLHW-BAUSSPIASA-N
MW267.70 g/mol
LogP2.48
Rot. Bonds5

About (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride

(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride (PubChem CID 171262763) has the molecular formula C11H16ClF2NO2 and a molecular weight of 267.70 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
PubChem CID171262763
Molecular FormulaC11H16ClF2NO2
Molecular Weight267.70 g/mol
Exact Mass267.08
IUPAC Name(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C11H15F2NO2.ClH/c1-2-9(15)10(14)7-4-3-5-8(6-7)16-11(12)13;/h3-6,9-11,15H,2,14H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyHYSFRBVIMGWLHW-BAUSSPIASA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-5-methylhexan-2-ol
CID 171268457
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride (CID 171262763) is (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride is CC[C@H](O)[C@H](N)c1cccc(OC(F)F)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride?
The InChIKey is HYSFRBVIMGWLHW-BAUSSPIASA-N. The full InChI is InChI=1S/C11H15F2NO2.ClH/c1-2-9(15)10(14)7-4-3-5-8(6-7)16-11(12)13;/h3-6,9-11,15H,2,14H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride has a molecular weight of 267.70 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride is sourced from PubChem (CID 171262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).