N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide

C14H24FNO2 — CID 134388649

IUPACN-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(OC2CCCC(F)C2)C1
InChIInChI=1S/C14H24FNO2/c1-10(17)16-12-5-3-7-14(9-12)18-13-6-2-4-11(15)8-13/h11-14H,2-9H2,1H3,(H,16,17)
InChIKeyBMTIWDLJBAQFRU-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.73
Rot. Bonds3

About N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide

N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide (PubChem CID 134388649) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
PubChem CID134388649
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC NameN-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCCC(OC2CCCC(F)C2)C1
InChIInChI=1S/C14H24FNO2/c1-10(17)16-12-5-3-7-14(9-12)18-13-6-2-4-11(15)8-13/h11-14H,2-9H2,1H3,(H,16,17)
InChIKeyBMTIWDLJBAQFRU-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide?
The IUPAC name of N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide (CID 134388649) is N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide.
What is the SMILES notation for N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide?
The canonical SMILES for N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide is CC(=O)NC1CCCC(OC2CCCC(F)C2)C1.
What is the InChIKey of N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide?
The InChIKey is BMTIWDLJBAQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-10(17)16-12-5-3-7-14(9-12)18-13-6-2-4-11(15)8-13/h11-14H,2-9H2,1H3,(H,16,17).
What are the key properties of N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide?
N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide has a molecular weight of 257.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide is sourced from PubChem (CID 134388649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).