(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium

C10H13FNOY- — CID 59753088

IUPAC(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium
SMILESCc1[c-]ccc([C@@H](O)[C@H](N)CF)c1.[Y]
InChIInChI=1S/C10H13FNO.Y/c1-7-3-2-4-8(5-7)10(13)9(12)6-11;/h2,4-5,9-10,13H,6,12H2,1H3;/q-1;/t9-,10-;/m1./s1
InChIKeyBPYIEZYOFZBYLP-DHTOPLTISA-N
MW271.12 g/mol
LogP1.12
Rot. Bonds3

About (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium

(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium (PubChem CID 59753088) has the molecular formula C10H13FNOY- and a molecular weight of 271.12 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium
PubChem CID59753088
Molecular FormulaC10H13FNOY-
Molecular Weight271.12 g/mol
Exact Mass271.00
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium
SMILESCc1[c-]ccc([C@@H](O)[C@H](N)CF)c1.[Y]
InChIInChI=1S/C10H13FNO.Y/c1-7-3-2-4-8(5-7)10(13)9(12)6-11;/h2,4-5,9-10,13H,6,12H2,1H3;/q-1;/t9-,10-;/m1./s1
InChIKeyBPYIEZYOFZBYLP-DHTOPLTISA-N
XLogP1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
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(1S,2R)-2-amino-1-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 68242647
6-Amino-3-ethylcyclohexa-2,4-dien-1-ol
CID 70212276
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CID 70917876
4-(2-Amino-1-hydroxypropyl)cyclohexa-2,4-diene-1-thione
CID 88162957
3-[(1R,2S)-2-amino-1-hydroxypropyl]cyclohexa-2,4-dien-1-ol
CID 89038629
2-Amino-4-prop-1-enylhept-4-en-3-ol
CID 90891802

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium (CID 59753088) is (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium is Cc1[c-]ccc([C@@H](O)[C@H](N)CF)c1.[Y].
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium?
The InChIKey is BPYIEZYOFZBYLP-DHTOPLTISA-N. The full InChI is InChI=1S/C10H13FNO.Y/c1-7-3-2-4-8(5-7)10(13)9(12)6-11;/h2,4-5,9-10,13H,6,12H2,1H3;/q-1;/t9-,10-;/m1./s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium?
(1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium has a molecular weight of 271.12 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-(3-methylbenzene-4-id-1-yl)propan-1-ol;yttrium is sourced from PubChem (CID 59753088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).