3-amino-3-(2-fluorophenyl)cyclobutan-1-ol

C10H12FNO — CID 115015872

IUPAC3-amino-3-(2-fluorophenyl)cyclobutan-1-ol
SMILESNC1(c2ccccc2F)CC(O)C1
InChIInChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(12)5-7(13)6-10/h1-4,7,13H,5-6,12H2
InChIKeyCAUMHWRINTWOCW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.13
Rot. Bonds1

About 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol

3-amino-3-(2-fluorophenyl)cyclobutan-1-ol (PubChem CID 115015872) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-fluorophenyl)cyclobutan-1-ol
PubChem CID115015872
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-amino-3-(2-fluorophenyl)cyclobutan-1-ol
SMILESNC1(c2ccccc2F)CC(O)C1
InChIInChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(12)5-7(13)6-10/h1-4,7,13H,5-6,12H2
InChIKeyCAUMHWRINTWOCW-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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Related Compounds

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2-Amino-2-phenylpropan-1-ol
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2-Amino-2-phenylbutan-1-ol
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3-Amino-3-(2-fluorophenyl)propan-1-ol
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(r)-3-(4-Fluorophenyl)-beta-alaninol
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(3S)-3-Amino-3-(4-fluorophenyl)propan-1-ol
CID 10219601
3-Amino-3-(3-fluorophenyl)propan-1-ol
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(S)-2-Amino-2-phenylpropan-1-ol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol (CID 115015872) is 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol is NC1(c2ccccc2F)CC(O)C1.
What is the InChIKey of 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol?
The InChIKey is CAUMHWRINTWOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(12)5-7(13)6-10/h1-4,7,13H,5-6,12H2.
What are the key properties of 3-amino-3-(2-fluorophenyl)cyclobutan-1-ol?
3-amino-3-(2-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-(2-fluorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 115015872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).