(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol

C9H11FINO — CID 130706379

IUPAC(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cccc1I
InChIInChI=1S/C9H11FINO/c10-6-2-1-3-7(11)9(6)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m1/s1
InChIKeyGPVVDCYUPVYIRQ-MRVPVSSYSA-N
MW295.09 g/mol
LogP1.81
Rot. Bonds3

About (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol

(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol (PubChem CID 130706379) has the molecular formula C9H11FINO and a molecular weight of 295.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
PubChem CID130706379
Molecular FormulaC9H11FINO
Molecular Weight295.09 g/mol
Exact Mass294.99
IUPAC Name(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cccc1I
InChIInChI=1S/C9H11FINO/c10-6-2-1-3-7(11)9(6)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m1/s1
InChIKeyGPVVDCYUPVYIRQ-MRVPVSSYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 51.81
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-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
2-(1-amino-3-hydroxypropyl)-3,6-difluorophenol
CID 131010821
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
CID 84668827
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
2-[(1R)-1-amino-3-hydroxypropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257305
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
CID 130987859
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol (CID 130706379) is (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol is N[C@H](CCO)c1c(F)cccc1I.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol?
The InChIKey is GPVVDCYUPVYIRQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11FINO/c10-6-2-1-3-7(11)9(6)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol?
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol has a molecular weight of 295.09 g/mol, XLogP of 1.81, 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-(2-fluoro-6-iodophenyl)propan-1-ol is sourced from PubChem (CID 130706379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).