(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol

C10H10BrF4NO — CID 71008979

IUPAC(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)c(F)cc1F)C(F)(F)CO
InChIInChI=1S/C10H10BrF4NO/c1-9(16,10(14,15)4-17)5-2-6(11)8(13)3-7(5)12/h2-3,17H,4,16H2,1H3/t9-/m1/s1
InChIKeyJQKLUXJOZUCDTA-SECBINFHSA-N
MW316.09 g/mol
LogP2.53
Rot. Bonds3

About (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol

(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol (PubChem CID 71008979) has the molecular formula C10H10BrF4NO and a molecular weight of 316.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
PubChem CID71008979
Molecular FormulaC10H10BrF4NO
Molecular Weight316.09 g/mol
Exact Mass314.99
IUPAC Name(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)c(F)cc1F)C(F)(F)CO
InChIInChI=1S/C10H10BrF4NO/c1-9(16,10(14,15)4-17)5-2-6(11)8(13)3-7(5)12/h2-3,17H,4,16H2,1H3/t9-/m1/s1
InChIKeyJQKLUXJOZUCDTA-SECBINFHSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
4-amino-4-(5-bromo-2,4-difluorophenyl)pentan-2-ol
CID 77248047
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
N-[2-(5-bromo-2,4-difluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90238421
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 165344141
2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
CID 66169266

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol (CID 71008979) is (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol is C[C@@](N)(c1cc(Br)c(F)cc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol?
The InChIKey is JQKLUXJOZUCDTA-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrF4NO/c1-9(16,10(14,15)4-17)5-2-6(11)8(13)3-7(5)12/h2-3,17H,4,16H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol?
(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol has a molecular weight of 316.09 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol is sourced from PubChem (CID 71008979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).