methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate

C12H14FNO3 — CID 143398446

IUPACmethyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate
SMILESCOC(=O)/N=C(/CC(C)O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-8(15)6-11(14-12(16)17-2)9-4-3-5-10(13)7-9/h3-5,7-8,15H,6H2,1-2H3/b14-11-
InChIKeyGECLBWPOCOIAHN-KAMYIIQDSA-N
MW239.25 g/mol
LogP2.15
Rot. Bonds3

About methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate

methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate (PubChem CID 143398446) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate.

Molecular Properties

Compound Namemethyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate
PubChem CID143398446
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate
SMILESCOC(=O)/N=C(/CC(C)O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-8(15)6-11(14-12(16)17-2)9-4-3-5-10(13)7-9/h3-5,7-8,15H,6H2,1-2H3/b14-11-
InChIKeyGECLBWPOCOIAHN-KAMYIIQDSA-N
XLogP2.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 22184733
(2Z)-2-(4-fluorophenyl)-2-methoxyiminoethanol
CID 15922515
[3-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 19426822
(1E)-1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol
CID 22993505
((R)-3-(4-fluorophenyl)-4,5-dihydroisoxazol-5-yl)methanol
CID 51674883
2-(3-Fluorophenyl)-2-methoxyiminoethanol
CID 54328475
3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
CID 59652532
1-(3,4-Difluorophenyl)-2-hydroxy-propan-1-one-oxime
CID 74014538
2-(4-Fluorophenyl)-2-methoxyiminoethanol
CID 85449052
ethyl N-[1-(4-fluorophenyl)ethylidene]carbamate
CID 85694601
(1Z)-1-(3,4-difluorophenyl)-1-hydroxyiminopropan-2-ol
CID 88069249
ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate
CID 89317345

Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate?
The IUPAC name of methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate (CID 143398446) is methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate.
What is the SMILES notation for methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate?
The canonical SMILES for methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate is COC(=O)/N=C(/CC(C)O)c1cccc(F)c1.
What is the InChIKey of methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate?
The InChIKey is GECLBWPOCOIAHN-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(15)6-11(14-12(16)17-2)9-4-3-5-10(13)7-9/h3-5,7-8,15H,6H2,1-2H3/b14-11-.
What are the key properties of methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate?
methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate has a molecular weight of 239.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-[1-(3-fluorophenyl)-3-hydroxybutylidene]carbamate is sourced from PubChem (CID 143398446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).