(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol

C10H11F3N2O3 — CID 57475868

IUPAC(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol
SMILESC[C@@](N)(c1cc([N+](=O)[O-])ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11F3N2O3/c1-9(14,10(12,13)5-16)7-4-6(15(17)18)2-3-8(7)11/h2-4,16H,5,14H2,1H3/t9-/m1/s1
InChIKeyHCCWBQPFGDPAHD-SECBINFHSA-N
MW264.20 g/mol
LogP1.54
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol

(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol (PubChem CID 57475868) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol
PubChem CID57475868
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol
SMILESC[C@@](N)(c1cc([N+](=O)[O-])ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11F3N2O3/c1-9(14,10(12,13)5-16)7-4-6(15(17)18)2-3-8(7)11/h2-4,16H,5,14H2,1H3/t9-/m1/s1
InChIKeyHCCWBQPFGDPAHD-SECBINFHSA-N
XLogP1.54
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol (CID 57475868) is (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol is C[C@@](N)(c1cc([N+](=O)[O-])ccc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol?
The InChIKey is HCCWBQPFGDPAHD-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-9(14,10(12,13)5-16)7-4-6(15(17)18)2-3-8(7)11/h2-4,16H,5,14H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol has a molecular weight of 264.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-nitrophenyl)butan-1-ol is sourced from PubChem (CID 57475868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).