3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol

C11H14FNO2 — CID 80561285

IUPAC3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
SMILESCOc1ccc(C2(O)CC(N)C2)cc1F
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-7(4-9(10)12)11(14)5-8(13)6-11/h2-4,8,14H,5-6,13H2,1H3
InChIKeyIYPBMBKGULUBLS-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.14
Rot. Bonds2

About 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol

3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol (PubChem CID 80561285) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
PubChem CID80561285
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
SMILESCOc1ccc(C2(O)CC(N)C2)cc1F
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-7(4-9(10)12)11(14)5-8(13)6-11/h2-4,8,14H,5-6,13H2,1H3
InChIKeyIYPBMBKGULUBLS-UHFFFAOYSA-N
XLogP1.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol (CID 80561285) is 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol is COc1ccc(C2(O)CC(N)C2)cc1F.
What is the InChIKey of 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol?
The InChIKey is IYPBMBKGULUBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-10-3-2-7(4-9(10)12)11(14)5-8(13)6-11/h2-4,8,14H,5-6,13H2,1H3.
What are the key properties of 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol?
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol has a molecular weight of 211.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol is sourced from PubChem (CID 80561285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).