4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one

C9H16FNO — CID 80694874

IUPAC4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCF)C1CCC(=O)CC1
InChIInChI=1S/C9H16FNO/c1-11(7-6-10)8-2-4-9(12)5-3-8/h8H,2-7H2,1H3
InChIKeyMVHRIUZMJCTUIW-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.40
Rot. Bonds3

About 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one

4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one (PubChem CID 80694874) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one
PubChem CID80694874
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCF)C1CCC(=O)CC1
InChIInChI=1S/C9H16FNO/c1-11(7-6-10)8-2-4-9(12)5-3-8/h8H,2-7H2,1H3
InChIKeyMVHRIUZMJCTUIW-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one (CID 80694874) is 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one is CN(CCF)C1CCC(=O)CC1.
What is the InChIKey of 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is MVHRIUZMJCTUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-11(7-6-10)8-2-4-9(12)5-3-8/h8H,2-7H2,1H3.
What are the key properties of 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one?
4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 173.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoroethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 80694874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).