4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol

C9H11F2NO2 — CID 131102833

IUPAC4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C(F)(F)CO
InChIInChI=1S/C9H11F2NO2/c10-9(11,5-13)8(12)6-1-3-7(14)4-2-6/h1-4,8,13-14H,5,12H2/t8-/m1/s1
InChIKeyTVZNKPSQTNYCGI-MRVPVSSYSA-N
MW203.19 g/mol
LogP1.02
Rot. Bonds3

About 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol

4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol (PubChem CID 131102833) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
PubChem CID131102833
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
SMILESN[C@H](c1ccc(O)cc1)C(F)(F)CO
InChIInChI=1S/C9H11F2NO2/c10-9(11,5-13)8(12)6-1-3-7(14)4-2-6/h1-4,8,13-14H,5,12H2/t8-/m1/s1
InChIKeyTVZNKPSQTNYCGI-MRVPVSSYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171238873
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzene-1,4-diol
CID 131296341

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol?
The IUPAC name of 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol (CID 131102833) is 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol is N[C@H](c1ccc(O)cc1)C(F)(F)CO.
What is the InChIKey of 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol?
The InChIKey is TVZNKPSQTNYCGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-9(11,5-13)8(12)6-1-3-7(14)4-2-6/h1-4,8,13-14H,5,12H2/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol?
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol has a molecular weight of 203.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol is sourced from PubChem (CID 131102833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).