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

C11H14FNO — CID 115020245

IUPAC3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c1-10(14)6-11(13,7-10)8-3-2-4-9(12)5-8/h2-5,14H,6-7,13H2,1H3
InChIKeyPOUICRWKWVUPBY-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.52
Rot. Bonds1

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

3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol (PubChem CID 115020245) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol
PubChem CID115020245
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(c2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c1-10(14)6-11(13,7-10)8-3-2-4-9(12)5-8/h2-5,14H,6-7,13H2,1H3
InChIKeyPOUICRWKWVUPBY-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.52
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)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol (CID 115020245) is 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol is CC1(O)CC(N)(c2cccc(F)c2)C1.
What is the InChIKey of 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol?
The InChIKey is POUICRWKWVUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-10(14)6-11(13,7-10)8-3-2-4-9(12)5-8/h2-5,14H,6-7,13H2,1H3.
What are the key properties of 3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol?
3-amino-3-(3-fluorophenyl)-1-methylcyclobutan-1-ol has a molecular weight of 195.24 g/mol, XLogP of 1.52, 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)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 115020245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).