3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 170912508

IUPAC3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1(CC2CC2)CNC1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-7(4-8-5-7)3-6-1-2-6;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7)
InChIKeyICGUFNUFKNBPOZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.75
Rot. Bonds2

About 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid

3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 170912508) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID170912508
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1(CC2CC2)CNC1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-7(4-8-5-7)3-6-1-2-6;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7)
InChIKeyICGUFNUFKNBPOZ-UHFFFAOYSA-N
XLogP0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid (CID 170912508) is 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1(CC2CC2)CNC1.
What is the InChIKey of 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ICGUFNUFKNBPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c9-7(4-8-5-7)3-6-1-2-6;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7).
What are the key properties of 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 241.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170912508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).