4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid

C10H15F2NO2 — CID 121200815

IUPAC4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-13(6-10)8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyHKVNGHJHNOBAPX-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.58
Rot. Bonds2

About 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid

4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 121200815) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID121200815
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-13(6-10)8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyHKVNGHJHNOBAPX-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid (CID 121200815) is 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HKVNGHJHNOBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)5-13(6-10)8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid?
4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 219.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 121200815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).