[3-(4-fluorophenoxy)cyclobutyl]carbamic acid

C11H12FNO3 — CID 166790359

IUPAC[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3/c12-7-1-3-9(4-2-7)16-10-5-8(6-10)13-11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)
InChIKeySEADZUJXSATYQG-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.00
Rot. Bonds3

About [3-(4-fluorophenoxy)cyclobutyl]carbamic acid

[3-(4-fluorophenoxy)cyclobutyl]carbamic acid (PubChem CID 166790359) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
PubChem CID166790359
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3/c12-7-1-3-9(4-2-7)16-10-5-8(6-10)13-11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)
InChIKeySEADZUJXSATYQG-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271
[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
CID 174238917
(3R,4S)-N-[3-(4-fluorophenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 159638124
[3-[3-(pentafluoro-λ6-sulfanyl)phenoxy]cyclobutyl]carbamic acid
CID 170439239
[(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentyl]carbamic acid
CID 146194980
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
CID 11709895
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
[3-[4-[2-[4-[(6-bromo-3-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238808
[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239001
(2S,4S)-N-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110198565
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
CID 67478740

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(4-fluorophenoxy)cyclobutyl]carbamic acid (CID 166790359) is [3-(4-fluorophenoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(4-fluorophenoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(4-fluorophenoxy)cyclobutyl]carbamic acid is O=C(O)NC1CC(Oc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenoxy)cyclobutyl]carbamic acid?
The InChIKey is SEADZUJXSATYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-7-1-3-9(4-2-7)16-10-5-8(6-10)13-11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15).
What are the key properties of [3-(4-fluorophenoxy)cyclobutyl]carbamic acid?
[3-(4-fluorophenoxy)cyclobutyl]carbamic acid has a molecular weight of 225.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 166790359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).