5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one

C16H22FNO — CID 79865978

IUPAC5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CC1CCC(C)(C)C1=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-4-18(14-7-5-6-13(17)10-14)11-12-8-9-16(2,3)15(12)19/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyPCIDAEGYMDABNA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds4

About 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one

5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79865978) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79865978
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CC1CCC(C)(C)C1=O)c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-4-18(14-7-5-6-13(17)10-14)11-12-8-9-16(2,3)15(12)19/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyPCIDAEGYMDABNA-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one (CID 79865978) is 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one is CCN(CC1CCC(C)(C)C1=O)c1cccc(F)c1.
What is the InChIKey of 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is PCIDAEGYMDABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-18(14-7-5-6-13(17)10-14)11-12-8-9-16(2,3)15(12)19/h5-7,10,12H,4,8-9,11H2,1-3H3.
What are the key properties of 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one?
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79865978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).