3-amino-3-(3-fluorophenyl)cyclobutan-1-ol

C10H12FNO — CID 89008903

IUPAC3-amino-3-(3-fluorophenyl)cyclobutan-1-ol
SMILESNC1(c2cccc(F)c2)CC(O)C1
InChIInChI=1S/C10H12FNO/c11-8-3-1-2-7(4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKeySNMUJTKGJNKYNC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.13
Rot. Bonds1

About 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol

3-amino-3-(3-fluorophenyl)cyclobutan-1-ol (PubChem CID 89008903) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-fluorophenyl)cyclobutan-1-ol
PubChem CID89008903
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-amino-3-(3-fluorophenyl)cyclobutan-1-ol
SMILESNC1(c2cccc(F)c2)CC(O)C1
InChIInChI=1S/C10H12FNO/c11-8-3-1-2-7(4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKeySNMUJTKGJNKYNC-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol (CID 89008903) is 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol is NC1(c2cccc(F)c2)CC(O)C1.
What is the InChIKey of 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol?
The InChIKey is SNMUJTKGJNKYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-3-1-2-7(4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2.
What are the key properties of 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol?
3-amino-3-(3-fluorophenyl)cyclobutan-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 89008903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).