ethane;3-(trifluoromethyl)azetidin-3-ol

C8H18F3NO — CID 144523537

IUPACethane;3-(trifluoromethyl)azetidin-3-ol
SMILESCC.CC.OC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO.2C2H6/c5-4(6,7)3(9)1-8-2-3;2*1-2/h8-9H,1-2H2;2*1-2H3
InChIKeyKQRAFISWPAVDCY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.94
Rot. Bonds

About ethane;3-(trifluoromethyl)azetidin-3-ol

ethane;3-(trifluoromethyl)azetidin-3-ol (PubChem CID 144523537) has the molecular formula C8H18F3NO and a molecular weight of 201.23 g/mol. Its IUPAC name is ethane;3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Nameethane;3-(trifluoromethyl)azetidin-3-ol
PubChem CID144523537
Molecular FormulaC8H18F3NO
Molecular Weight201.23 g/mol
Exact Mass201.13
IUPAC Nameethane;3-(trifluoromethyl)azetidin-3-ol
SMILESCC.CC.OC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H6F3NO.2C2H6/c5-4(6,7)3(9)1-8-2-3;2*1-2/h8-9H,1-2H2;2*1-2H3
InChIKeyKQRAFISWPAVDCY-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of ethane;3-(trifluoromethyl)azetidin-3-ol (CID 144523537) is ethane;3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for ethane;3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for ethane;3-(trifluoromethyl)azetidin-3-ol is CC.CC.OC1(C(F)(F)F)CNC1.
What is the InChIKey of ethane;3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is KQRAFISWPAVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO.2C2H6/c5-4(6,7)3(9)1-8-2-3;2*1-2/h8-9H,1-2H2;2*1-2H3.
What are the key properties of ethane;3-(trifluoromethyl)azetidin-3-ol?
ethane;3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 201.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 144523537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).