1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone

C14H23F2NO — CID 114225595

IUPAC1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone
SMILESNCC1(C(=O)CC2CCC(F)(F)C2)CCCCC1
InChIInChI=1S/C14H23F2NO/c15-14(16)7-4-11(9-14)8-12(18)13(10-17)5-2-1-3-6-13/h11H,1-10,17H2
InChIKeyYMHYSMXIXNMUSU-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone

1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone (PubChem CID 114225595) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone
PubChem CID114225595
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone
SMILESNCC1(C(=O)CC2CCC(F)(F)C2)CCCCC1
InChIInChI=1S/C14H23F2NO/c15-14(16)7-4-11(9-14)8-12(18)13(10-17)5-2-1-3-6-13/h11H,1-10,17H2
InChIKeyYMHYSMXIXNMUSU-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone (CID 114225595) is 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone is NCC1(C(=O)CC2CCC(F)(F)C2)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone?
The InChIKey is YMHYSMXIXNMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)7-4-11(9-14)8-12(18)13(10-17)5-2-1-3-6-13/h11H,1-10,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone?
1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2-(3,3-difluorocyclopentyl)ethanone is sourced from PubChem (CID 114225595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).