(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride

C9H10ClF3INO — CID 171245024

IUPAC(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F3INO.ClH/c10-7-2-1-5(13)3-6(7)8(14)9(11,12)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyUEABCJONKAWDHI-DDWIOCJRSA-N
MW367.54 g/mol
LogP2.48
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride

(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride (PubChem CID 171245024) has the molecular formula C9H10ClF3INO and a molecular weight of 367.54 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
PubChem CID171245024
Molecular FormulaC9H10ClF3INO
Molecular Weight367.54 g/mol
Exact Mass366.94
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F3INO.ClH/c10-7-2-1-5(13)3-6(7)8(14)9(11,12)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyUEABCJONKAWDHI-DDWIOCJRSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131266456
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
CID 171253128
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride (CID 171245024) is (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride is Cl.N[C@H](c1cc(I)ccc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
The InChIKey is UEABCJONKAWDHI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9F3INO.ClH/c10-7-2-1-5(13)3-6(7)8(14)9(11,12)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride has a molecular weight of 367.54 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171245024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).