3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol

C10H18F3NO — CID 115518097

IUPAC3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESCC(C)C1(O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(2)9(15)6-14(7-9)5-3-4-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyOUTRZYIGBMIKDF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds4

About 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol

3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (PubChem CID 115518097) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
PubChem CID115518097
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol
SMILESCC(C)C1(O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(2)9(15)6-14(7-9)5-3-4-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyOUTRZYIGBMIKDF-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The IUPAC name of 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol (CID 115518097) is 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol.
What is the SMILES notation for 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The canonical SMILES for 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is CC(C)C1(O)CN(CCCC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
The InChIKey is OUTRZYIGBMIKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)9(15)6-14(7-9)5-3-4-10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol?
3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(4,4,4-trifluorobutyl)azetidin-3-ol is sourced from PubChem (CID 115518097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).