[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate

C10H12FNO3 — CID 56596320

IUPAC[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)
InChIKeyIBLLCZVRWVACRY-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.34
Rot. Bonds3

About [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate

[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate (PubChem CID 56596320) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate
PubChem CID56596320
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)
InChIKeyIBLLCZVRWVACRY-UHFFFAOYSA-N
XLogP1.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxyphenamate
CID 5752
Styramate
CID 7186
Carisbamate
CID 6918474
Benzenemethanol, alpha-(ethoxymethyl)-
CID 90768
2-Hydroxyfelbamate
CID 10400039
2-Methoxy-1-phenylethan-1-ol
CID 572294
1-(4-Fluorophenyl)ethane-1,2-diol
CID 11412509
1,2-Ethanediol, 1-phenyl-, 2-acetate
CID 112062
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
Jbpos-0101
CID 57524523
1-Phenyl-2-(trifluoromethoxy)ethan-1-ol
CID 54594557
(R)-1-(4-Fluorophenyl)ethane-1,2-diol
CID 45090634

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate?
The IUPAC name of [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate (CID 56596320) is [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate is CC(OC(N)=O)C(O)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate?
The InChIKey is IBLLCZVRWVACRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14).
What are the key properties of [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate?
[1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate has a molecular weight of 213.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 56596320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).