2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol

C7H13F2NO — CID 105432615

IUPAC2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(F)(F)CC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-11)3-6-1-2-10-4-6/h6,10-11H,1-5H2
InChIKeyOPBQDCUCBYCMAB-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.61
Rot. Bonds3

About 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol

2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol (PubChem CID 105432615) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol
PubChem CID105432615
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(F)(F)CC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-11)3-6-1-2-10-4-6/h6,10-11H,1-5H2
InChIKeyOPBQDCUCBYCMAB-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.61
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-pyrrolidin-3-ylpropan-1-ol?
The IUPAC name of 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol (CID 105432615) is 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol?
The canonical SMILES for 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol is OCC(F)(F)CC1CCNC1.
What is the InChIKey of 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol?
The InChIKey is OPBQDCUCBYCMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9,5-11)3-6-1-2-10-4-6/h6,10-11H,1-5H2.
What are the key properties of 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol?
2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-pyrrolidin-3-ylpropan-1-ol is sourced from PubChem (CID 105432615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).