2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide

C11H12FNO2 — CID 167776266

IUPAC2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C11H12FNO2/c1-8(12)11(15)13-10(7-14)9-5-3-2-4-6-9/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1
InChIKeyDTVPMHZYRLGGHV-SNVBAGLBSA-N
MW209.22 g/mol
LogP1.32
Rot. Bonds4

About 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide

2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide (PubChem CID 167776266) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
PubChem CID167776266
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C11H12FNO2/c1-8(12)11(15)13-10(7-14)9-5-3-2-4-6-9/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1
InChIKeyDTVPMHZYRLGGHV-SNVBAGLBSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-(2,6-difluorophenyl)-N'-[(1S)-2-hydroxy-1-phenylethyl]oxamide
CID 111798649
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide (CID 167776266) is 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide is C=C(F)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide?
The InChIKey is DTVPMHZYRLGGHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8(12)11(15)13-10(7-14)9-5-3-2-4-6-9/h2-6,10,14H,1,7H2,(H,13,15)/t10-/m1/s1.
What are the key properties of 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide?
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide has a molecular weight of 209.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 167776266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).