4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one

C14H18FNO — CID 115240065

IUPAC4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one
SMILESCN(CC1CCC(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-16(13-6-4-12(15)5-7-13)10-11-2-8-14(17)9-3-11/h4-7,11H,2-3,8-10H2,1H3
InChIKeyAKRDCWJLDMGVIJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.02
Rot. Bonds3

About 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one

4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one (PubChem CID 115240065) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one
PubChem CID115240065
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one
SMILESCN(CC1CCC(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-16(13-6-4-12(15)5-7-13)10-11-2-8-14(17)9-3-11/h4-7,11H,2-3,8-10H2,1H3
InChIKeyAKRDCWJLDMGVIJ-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one (CID 115240065) is 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one is CN(CC1CCC(=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one?
The InChIKey is AKRDCWJLDMGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-16(13-6-4-12(15)5-7-13)10-11-2-8-14(17)9-3-11/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one?
4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one has a molecular weight of 235.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one is sourced from PubChem (CID 115240065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).