(1S)-1-(3-amino-4-fluorophenyl)ethanol

C8H10FNO — CID 70331602

IUPAC(1S)-1-(3-amino-4-fluorophenyl)ethanol
SMILESC[C@H](O)c1ccc(F)c(N)c1
InChIInChI=1S/C8H10FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,10H2,1H3/t5-/m0/s1
InChIKeyWRBRIQRGTCMPFQ-YFKPBYRVSA-N
MW155.17 g/mol
LogP1.46
Rot. Bonds1

About (1S)-1-(3-amino-4-fluorophenyl)ethanol

(1S)-1-(3-amino-4-fluorophenyl)ethanol (PubChem CID 70331602) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is (1S)-1-(3-amino-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-amino-4-fluorophenyl)ethanol
PubChem CID70331602
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name(1S)-1-(3-amino-4-fluorophenyl)ethanol
SMILESC[C@H](O)c1ccc(F)c(N)c1
InChIInChI=1S/C8H10FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,10H2,1H3/t5-/m0/s1
InChIKeyWRBRIQRGTCMPFQ-YFKPBYRVSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
5-(1-amino-2-methylpropyl)-2-fluoroaniline
CID 55283419
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
(1R)-1-(3-amino-4-methylsulfonylphenyl)ethanol
CID 124908033
2-(3-amino-4-fluorophenyl)-2-chloroethanethioic S-acid
CID 21276588
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-amino-4-fluorophenyl)ethanol?
The IUPAC name of (1S)-1-(3-amino-4-fluorophenyl)ethanol (CID 70331602) is (1S)-1-(3-amino-4-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-amino-4-fluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(3-amino-4-fluorophenyl)ethanol is C[C@H](O)c1ccc(F)c(N)c1.
What is the InChIKey of (1S)-1-(3-amino-4-fluorophenyl)ethanol?
The InChIKey is WRBRIQRGTCMPFQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3-amino-4-fluorophenyl)ethanol?
(1S)-1-(3-amino-4-fluorophenyl)ethanol has a molecular weight of 155.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-amino-4-fluorophenyl)ethanol is sourced from PubChem (CID 70331602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).