2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol

C9H17F2NO — CID 106172541

IUPAC2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol
SMILESCCCC1CN(CC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO/c1-2-3-8-4-12(5-8)6-9(10,11)7-13/h8,13H,2-7H2,1H3
InChIKeyITHFFYAPAYXSBM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds5

About 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol

2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol (PubChem CID 106172541) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol
PubChem CID106172541
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol
SMILESCCCC1CN(CC(F)(F)CO)C1
InChIInChI=1S/C9H17F2NO/c1-2-3-8-4-12(5-8)6-9(10,11)7-13/h8,13H,2-7H2,1H3
InChIKeyITHFFYAPAYXSBM-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol (CID 106172541) is 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol is CCCC1CN(CC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol?
The InChIKey is ITHFFYAPAYXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-3-8-4-12(5-8)6-9(10,11)7-13/h8,13H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol?
2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-propylazetidin-1-yl)propan-1-ol is sourced from PubChem (CID 106172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).