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

C10H19F2NO — CID 103578510

IUPAC2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h7-9,13-14H,3-6H2,1-2H3
InChIKeyCGPUWYCFPCYRGR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.64
Rot. Bonds5

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

2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol (PubChem CID 103578510) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
PubChem CID103578510
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
SMILESCC(C)C1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h7-9,13-14H,3-6H2,1-2H3
InChIKeyCGPUWYCFPCYRGR-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.64
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-propan-2-ylcyclobutyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol (CID 103578510) is 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol is CC(C)C1CC(NCC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol?
The InChIKey is CGPUWYCFPCYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol?
2,2-difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.64, 5 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-propan-2-ylcyclobutyl)amino]propan-1-ol is sourced from PubChem (CID 103578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).