3-(1,1-difluoroethyl)azetidin-3-ol

C5H9F2NO — CID 147302413

IUPAC3-(1,1-difluoroethyl)azetidin-3-ol
SMILESCC(F)(F)C1(O)CNC1
InChIInChI=1S/C5H9F2NO/c1-4(6,7)5(9)2-8-3-5/h8-9H,2-3H2,1H3
InChIKeyCWIRFWSAWXSYLN-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.02
Rot. Bonds1

About 3-(1,1-difluoroethyl)azetidin-3-ol

3-(1,1-difluoroethyl)azetidin-3-ol (PubChem CID 147302413) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)azetidin-3-ol
PubChem CID147302413
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(1,1-difluoroethyl)azetidin-3-ol
SMILESCC(F)(F)C1(O)CNC1
InChIInChI=1S/C5H9F2NO/c1-4(6,7)5(9)2-8-3-5/h8-9H,2-3H2,1H3
InChIKeyCWIRFWSAWXSYLN-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)azetidin-3-ol hydrochloride
CID 46735152
3-Ethylazetidin-3-ol; trifluoroacetic acid
CID 66653447
3-(Difluoromethyl)azetidin-3-ol hydrochloride
CID 119081657
3-(Trifluoromethyl)azetidin-3-ol
CID 46735153
3-(Difluoromethyl)azetidin-3-ol
CID 71756928
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
3-Isopropylazetidin-3-ol
CID 22163791
2-(Azetidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 118697583
3-(Trifluoromethyl)azetidin-1-ium-3-ol;chloride
CID 119087095
3-(Fluoromethyl)azetidin-3-ol
CID 135394762
3-[2-(3,3,3-Trifluoropropylamino)ethyl]azetidin-3-ol
CID 141210953
Ethane;3-(trifluoromethyl)azetidin-3-ol
CID 144523537

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)azetidin-3-ol?
The IUPAC name of 3-(1,1-difluoroethyl)azetidin-3-ol (CID 147302413) is 3-(1,1-difluoroethyl)azetidin-3-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)azetidin-3-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)azetidin-3-ol is CC(F)(F)C1(O)CNC1.
What is the InChIKey of 3-(1,1-difluoroethyl)azetidin-3-ol?
The InChIKey is CWIRFWSAWXSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-4(6,7)5(9)2-8-3-5/h8-9H,2-3H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)azetidin-3-ol?
3-(1,1-difluoroethyl)azetidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)azetidin-3-ol is sourced from PubChem (CID 147302413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).