N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide

C9H10FNO2 — CID 142183569

IUPACN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
SMILESO=CN[C@H](CO)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-8-3-1-2-7(4-8)9(5-12)11-6-13/h1-4,6,9,12H,5H2,(H,11,13)/t9-/m1/s1
InChIKeyADSFAESPQBEEQR-SECBINFHSA-N
MW183.18 g/mol
LogP0.61
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide

N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide (PubChem CID 142183569) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
PubChem CID142183569
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC NameN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
SMILESO=CN[C@H](CO)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-8-3-1-2-7(4-8)9(5-12)11-6-13/h1-4,6,9,12H,5H2,(H,11,13)/t9-/m1/s1
InChIKeyADSFAESPQBEEQR-SECBINFHSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
N-[2-hydroxy-1-(4-phenylphenyl)ethyl]formamide
CID 170955865
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
(2R)-2-(3-fluorophenyl)-2-(2-phenylethylamino)ethanol
CID 124885583
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
CID 106529006

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide (CID 142183569) is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide is O=CN[C@H](CO)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide?
The InChIKey is ADSFAESPQBEEQR-SECBINFHSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-8-3-1-2-7(4-8)9(5-12)11-6-13/h1-4,6,9,12H,5H2,(H,11,13)/t9-/m1/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide?
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide has a molecular weight of 183.18 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide is sourced from PubChem (CID 142183569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).