[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate

C11H14FNO3 — CID 175517049

IUPAC[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate
SMILESCCC[C@](O)(OC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-7-11(15,16-10(13)14)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyLTMAMDWNNAFESB-NSHDSACASA-N
MW227.24 g/mol
LogP1.87
Rot. Bonds4

About [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate

[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate (PubChem CID 175517049) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate
PubChem CID175517049
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate
SMILESCCC[C@](O)(OC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-7-11(15,16-10(13)14)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H2,13,14)/t11-/m0/s1
InChIKeyLTMAMDWNNAFESB-NSHDSACASA-N
XLogP1.87
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] 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

[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
CID 175407152
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
CID 135384943
2-(4-fluorophenyl)-2-methoxypentan-1-amine
CID 83835028
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
CID 62393286
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
CID 130315613
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate (CID 175517049) is [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate is CCC[C@](O)(OC(N)=O)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate?
The InChIKey is LTMAMDWNNAFESB-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-7-11(15,16-10(13)14)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3,(H2,13,14)/t11-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate?
[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate has a molecular weight of 227.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate is sourced from PubChem (CID 175517049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).