1,1-difluoro-1-(oxolan-3-yl)propan-2-amine

C7H13F2NO — CID 105432600

IUPAC1,1-difluoro-1-(oxolan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3
InChIKeyYYPMDGPEUTZNMA-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine

1,1-difluoro-1-(oxolan-3-yl)propan-2-amine (PubChem CID 105432600) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(oxolan-3-yl)propan-2-amine
PubChem CID105432600
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1,1-difluoro-1-(oxolan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3
InChIKeyYYPMDGPEUTZNMA-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine (CID 105432600) is 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine is CC(N)C(F)(F)C1CCOC1.
What is the InChIKey of 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine?
The InChIKey is YYPMDGPEUTZNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6H,2-4,10H2,1H3.
What are the key properties of 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine?
1,1-difluoro-1-(oxolan-3-yl)propan-2-amine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 105432600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).