1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone

C16H22FNO — CID 54942906

IUPAC1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)C1CCCCC1C
InChIInChI=1S/C16H22FNO/c1-11-7-4-5-9-14(11)18(3)15-10-6-8-13(17)16(15)12(2)19/h6,8,10-11,14H,4-5,7,9H2,1-3H3
InChIKeyALQBOIIBZGDVOQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.04
Rot. Bonds3

About 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone

1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone (PubChem CID 54942906) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
PubChem CID54942906
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)C1CCCCC1C
InChIInChI=1S/C16H22FNO/c1-11-7-4-5-9-14(11)18(3)15-10-6-8-13(17)16(15)12(2)19/h6,8,10-11,14H,4-5,7,9H2,1-3H3
InChIKeyALQBOIIBZGDVOQ-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone (CID 54942906) is 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)C1CCCCC1C.
What is the InChIKey of 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
The InChIKey is ALQBOIIBZGDVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-7-4-5-9-14(11)18(3)15-10-6-8-13(17)16(15)12(2)19/h6,8,10-11,14H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone?
1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone has a molecular weight of 263.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone is sourced from PubChem (CID 54942906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).