(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride

C9H10Cl2F2N2O3 — CID 171241895

IUPAC(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)CO
InChIInChI=1S/C9H9ClF2N2O3.ClH/c10-7-2-1-5(14(16)17)3-6(7)8(13)9(11,12)4-15;/h1-3,8,15H,4,13H2;1H/t8-;/m1./s1
InChIKeyRRLIOPPHEYTZTK-DDWIOCJRSA-N
MW303.09 g/mol
LogP2.30
Rot. Bonds4

About (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171241895) has the molecular formula C9H10Cl2F2N2O3 and a molecular weight of 303.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171241895
Molecular FormulaC9H10Cl2F2N2O3
Molecular Weight303.09 g/mol
Exact Mass302.00
IUPAC Name(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)CO
InChIInChI=1S/C9H9ClF2N2O3.ClH/c10-7-2-1-5(14(16)17)3-6(7)8(13)9(11,12)4-15;/h1-3,8,15H,4,13H2;1H/t8-;/m1./s1
InChIKeyRRLIOPPHEYTZTK-DDWIOCJRSA-N
XLogP2.30
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248618
1-(2-chloro-5-nitrophenyl)-2,2,2-trifluoroethanamine
CID 77128404
ethyl (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropanoate
CID 171241884
(3S)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171248472
(3R)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241749
methyl (2R)-2-amino-2-(2-chloro-5-nitrophenyl)acetate;hydrochloride
CID 171226356
(3S)-3-amino-2,2-difluoro-3-(5-fluoro-2-nitrophenyl)propan-1-ol
CID 171248356
(1S)-1-(2-chloro-5-nitrophenyl)-3-fluoropropan-1-amine
CID 171226335
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-nitrophenol;hydrochloride
CID 171248510
methyl (2S)-2-amino-2-(2-chloro-5-nitrophenyl)acetate
CID 171206781
(3S)-3-amino-3-(2-fluoro-5-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241616
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-nitrophenol;hydrochloride
CID 171245431

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171241895) is (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is RRLIOPPHEYTZTK-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9ClF2N2O3.ClH/c10-7-2-1-5(14(16)17)3-6(7)8(13)9(11,12)4-15;/h1-3,8,15H,4,13H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 303.09 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-chloro-5-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171241895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).