2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid

C8H14FNO2 — CID 81114712

IUPAC2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCCF)C1
InChIInChI=1S/C8H14FNO2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGRIQVBQKFBEUSF-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds5

About 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid

2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid (PubChem CID 81114712) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid
PubChem CID81114712
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCCF)C1
InChIInChI=1S/C8H14FNO2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGRIQVBQKFBEUSF-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid (CID 81114712) is 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCCF)C1.
What is the InChIKey of 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid?
The InChIKey is GRIQVBQKFBEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6H2,(H,11,12).
What are the key properties of 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid?
2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid has a molecular weight of 175.20 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 81114712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).