[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid

C12H14FNO3 — CID 67813271

IUPAC[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
SMILESCc1c(F)cccc1OC1CC(NC(=O)O)C1
InChIInChI=1S/C12H14FNO3/c1-7-10(13)3-2-4-11(7)17-9-5-8(6-9)14-12(15)16/h2-4,8-9,14H,5-6H2,1H3,(H,15,16)
InChIKeyWUAGSNNTTZHWTM-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.31
Rot. Bonds3

About [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid

[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid (PubChem CID 67813271) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
PubChem CID67813271
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
SMILESCc1c(F)cccc1OC1CC(NC(=O)O)C1
InChIInChI=1S/C12H14FNO3/c1-7-10(13)3-2-4-11(7)17-9-5-8(6-9)14-12(15)16/h2-4,8-9,14H,5-6H2,1H3,(H,15,16)
InChIKeyWUAGSNNTTZHWTM-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid (CID 67813271) is [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid is Cc1c(F)cccc1OC1CC(NC(=O)O)C1.
What is the InChIKey of [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid?
The InChIKey is WUAGSNNTTZHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-7-10(13)3-2-4-11(7)17-9-5-8(6-9)14-12(15)16/h2-4,8-9,14H,5-6H2,1H3,(H,15,16).
What are the key properties of [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid?
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid has a molecular weight of 239.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 67813271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).