N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide

C11H18FNO2 — CID 126791055

IUPACN-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NC2CCCC(F)C2)COC1
InChIInChI=1S/C11H18FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-3-8(12)5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVKNNKZXNPFIUJM-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.42
Rot. Bonds2

About N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide

N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide (PubChem CID 126791055) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide
PubChem CID126791055
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC NameN-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NC2CCCC(F)C2)COC1
InChIInChI=1S/C11H18FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-3-8(12)5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVKNNKZXNPFIUJM-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide (CID 126791055) is N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide is CC1(C(=O)NC2CCCC(F)C2)COC1.
What is the InChIKey of N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide?
The InChIKey is VKNNKZXNPFIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-3-8(12)5-9/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide?
N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclohexyl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 126791055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).