1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone

C14H23F2NO — CID 114225569

IUPAC1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESCC1CCCC(N)(C(=O)CC2CCC(F)(F)C2)C1
InChIInChI=1S/C14H23F2NO/c1-10-3-2-5-13(17,8-10)12(18)7-11-4-6-14(15,16)9-11/h10-11H,2-9,17H2,1H3
InChIKeyHMNYOUOVQNFCOM-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.29
Rot. Bonds3

About 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone

1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone (PubChem CID 114225569) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone.

Molecular Properties

Compound Name1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone
PubChem CID114225569
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESCC1CCCC(N)(C(=O)CC2CCC(F)(F)C2)C1
InChIInChI=1S/C14H23F2NO/c1-10-3-2-5-13(17,8-10)12(18)7-11-4-6-14(15,16)9-11/h10-11H,2-9,17H2,1H3
InChIKeyHMNYOUOVQNFCOM-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone?
The IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone (CID 114225569) is 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone.
What is the SMILES notation for 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone?
The canonical SMILES for 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone is CC1CCCC(N)(C(=O)CC2CCC(F)(F)C2)C1.
What is the InChIKey of 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone?
The InChIKey is HMNYOUOVQNFCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10-3-2-5-13(17,8-10)12(18)7-11-4-6-14(15,16)9-11/h10-11H,2-9,17H2,1H3.
What are the key properties of 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone?
1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylcyclohexyl)-2-(3,3-difluorocyclopentyl)ethanone is sourced from PubChem (CID 114225569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).