[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate

C11H12FNO3 — CID 175535957

IUPAC[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate
SMILESCC1(c2ccc(OC(N)=O)cc2F)COC1
InChIInChI=1S/C11H12FNO3/c1-11(5-15-6-11)8-3-2-7(4-9(8)12)16-10(13)14/h2-4H,5-6H2,1H3,(H2,13,14)
InChIKeyMBJNLFHKRRZXCA-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.57
Rot. Bonds2

About [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate

[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate (PubChem CID 175535957) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate
PubChem CID175535957
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate
SMILESCC1(c2ccc(OC(N)=O)cc2F)COC1
InChIInChI=1S/C11H12FNO3/c1-11(5-15-6-11)8-3-2-7(4-9(8)12)16-10(13)14/h2-4H,5-6H2,1H3,(H2,13,14)
InChIKeyMBJNLFHKRRZXCA-UHFFFAOYSA-N
XLogP1.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] 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

(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate
CID 175536029
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
[3-(1-bromoethyl)-4-fluorophenyl] carbamate
CID 174524890
[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
CID 175536040
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
(3-chloro-4-methylphenyl) carbamate
CID 18431892
(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-7-yl) carbamate
CID 140938266
(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
CID 23150327
(4-ethyl-3-methylphenyl) carbamate
CID 3027931
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
ethyl 2-[4-(3-aminooxetan-3-yl)-3-fluorophenyl]-2-methylpropanoate
CID 130418033
1-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]ethanone
CID 111975975

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate?
The IUPAC name of [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate (CID 175535957) is [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate.
What is the SMILES notation for [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate?
The canonical SMILES for [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate is CC1(c2ccc(OC(N)=O)cc2F)COC1.
What is the InChIKey of [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate?
The InChIKey is MBJNLFHKRRZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-11(5-15-6-11)8-3-2-7(4-9(8)12)16-10(13)14/h2-4H,5-6H2,1H3,(H2,13,14).
What are the key properties of [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate?
[3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate has a molecular weight of 225.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methyloxetan-3-yl)phenyl] carbamate is sourced from PubChem (CID 175535957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).