4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride

C10H14ClF2NO3 — CID 171246564

IUPAC4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)C(F)(F)CO.Cl
InChIInChI=1S/C10H13F2NO3.ClH/c1-16-8-4-6(15)2-3-7(8)9(13)10(11,12)5-14;/h2-4,9,14-15H,5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyFBZIZLUPZQGKST-FVGYRXGTSA-N
MW269.67 g/mol
LogP1.45
Rot. Bonds4

About 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride

4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride (PubChem CID 171246564) has the molecular formula C10H14ClF2NO3 and a molecular weight of 269.67 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
PubChem CID171246564
Molecular FormulaC10H14ClF2NO3
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)C(F)(F)CO.Cl
InChIInChI=1S/C10H13F2NO3.ClH/c1-16-8-4-6(15)2-3-7(8)9(13)10(11,12)5-14;/h2-4,9,14-15H,5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyFBZIZLUPZQGKST-FVGYRXGTSA-N
XLogP1.45
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
CID 171312191
(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383
(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171246553
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171244525
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzene-1,4-diol
CID 131296341
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-fluoro-6-methoxyphenol
CID 171256039
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171240329
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
CID 171248235

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride (CID 171246564) is 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@H](N)C(F)(F)CO.Cl.
What is the InChIKey of 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The InChIKey is FBZIZLUPZQGKST-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13F2NO3.ClH/c1-16-8-4-6(15)2-3-7(8)9(13)10(11,12)5-14;/h2-4,9,14-15H,5,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride?
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride has a molecular weight of 269.67 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171246564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).