2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol

C8H15F2NO — CID 104860563

IUPAC2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
SMILESCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-6-2-7(3-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3
InChIKeyYSBMHUGYOWIBJR-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds4

About 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol

2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol (PubChem CID 104860563) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
PubChem CID104860563
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
SMILESCC1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-6-2-7(3-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3
InChIKeyYSBMHUGYOWIBJR-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol (CID 104860563) is 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol is CC1CC(NCC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol?
The InChIKey is YSBMHUGYOWIBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-2-7(3-6)11-4-8(9,10)5-12/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol?
2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol is sourced from PubChem (CID 104860563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).