(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol

C9H10F2INO — CID 130690674

IUPAC(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1c(F)cc(I)cc1F
InChIInChI=1S/C9H10F2INO/c1-9(13,4-14)8-6(10)2-5(12)3-7(8)11/h2-3,14H,4,13H2,1H3/t9-/m1/s1
InChIKeyAPCVUCFLCBISSO-SECBINFHSA-N
MW313.09 g/mol
LogP1.74
Rot. Bonds2

About (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol

(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol (PubChem CID 130690674) has the molecular formula C9H10F2INO and a molecular weight of 313.09 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol
PubChem CID130690674
Molecular FormulaC9H10F2INO
Molecular Weight313.09 g/mol
Exact Mass312.98
IUPAC Name(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol
SMILESC[C@@](N)(CO)c1c(F)cc(I)cc1F
InChIInChI=1S/C9H10F2INO/c1-9(13,4-14)8-6(10)2-5(12)3-7(8)11/h2-3,14H,4,13H2,1H3/t9-/m1/s1
InChIKeyAPCVUCFLCBISSO-SECBINFHSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.09
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol (CID 130690674) is (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol is C[C@@](N)(CO)c1c(F)cc(I)cc1F.
What is the InChIKey of (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol?
The InChIKey is APCVUCFLCBISSO-SECBINFHSA-N. The full InChI is InChI=1S/C9H10F2INO/c1-9(13,4-14)8-6(10)2-5(12)3-7(8)11/h2-3,14H,4,13H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol?
(2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol has a molecular weight of 313.09 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,6-difluoro-4-iodophenyl)propan-1-ol is sourced from PubChem (CID 130690674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).