[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate

C11H14FNO3 — CID 175407135

IUPAC[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
SMILESCOCC[C@@H](OC(N)=O)c1ccccc1F
InChIInChI=1S/C11H14FNO3/c1-15-7-6-10(16-11(13)14)8-4-2-3-5-9(8)12/h2-5,10H,6-7H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyGPMSMQULBSVRFR-SNVBAGLBSA-N
MW227.24 g/mol
LogP2.00
Rot. Bonds5

About [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate

[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate (PubChem CID 175407135) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
PubChem CID175407135
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
SMILESCOCC[C@@H](OC(N)=O)c1ccccc1F
InChIInChI=1S/C11H14FNO3/c1-15-7-6-10(16-11(13)14)8-4-2-3-5-9(8)12/h2-5,10H,6-7H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyGPMSMQULBSVRFR-SNVBAGLBSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
CID 174774354
[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate
CID 174774237
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
CID 102007024
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate?
The IUPAC name of [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate (CID 175407135) is [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate.
What is the SMILES notation for [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate?
The canonical SMILES for [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate is COCC[C@@H](OC(N)=O)c1ccccc1F.
What is the InChIKey of [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate?
The InChIKey is GPMSMQULBSVRFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-7-6-10(16-11(13)14)8-4-2-3-5-9(8)12/h2-5,10H,6-7H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate?
[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate has a molecular weight of 227.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate is sourced from PubChem (CID 175407135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).