[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate

C14H18FNO3 — CID 174774237

IUPAC[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate
SMILESCOCC[C@H](c1ccccc1F)[C@@H]1C[C@@H]1OC(N)=O
InChIInChI=1S/C14H18FNO3/c1-18-7-6-9(10-4-2-3-5-12(10)15)11-8-13(11)19-14(16)17/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t9-,11+,13+/m1/s1
InChIKeyIDEDJJMUBQSXOR-CDMKHQONSA-N
MW267.30 g/mol
LogP2.43
Rot. Bonds6

About [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate

[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate (PubChem CID 174774237) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate
PubChem CID174774237
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate
SMILESCOCC[C@H](c1ccccc1F)[C@@H]1C[C@@H]1OC(N)=O
InChIInChI=1S/C14H18FNO3/c1-18-7-6-9(10-4-2-3-5-12(10)15)11-8-13(11)19-14(16)17/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t9-,11+,13+/m1/s1
InChIKeyIDEDJJMUBQSXOR-CDMKHQONSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135
[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
CID 174774354
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
[(1R,2S)-7-fluoro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294948
3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-(2-fluorophenyl)pentanediamide
CID 20546135
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
CID 71488457

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate?
The IUPAC name of [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate (CID 174774237) is [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate.
What is the SMILES notation for [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate?
The canonical SMILES for [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate is COCC[C@H](c1ccccc1F)[C@@H]1C[C@@H]1OC(N)=O.
What is the InChIKey of [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate?
The InChIKey is IDEDJJMUBQSXOR-CDMKHQONSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-7-6-9(10-4-2-3-5-12(10)15)11-8-13(11)19-14(16)17/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t9-,11+,13+/m1/s1.
What are the key properties of [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate?
[(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate has a molecular weight of 267.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(1S)-1-(2-fluorophenyl)-3-methoxypropyl]cyclopropyl] carbamate is sourced from PubChem (CID 174774237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).