2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one

C17H24FNO — CID 63482830

IUPAC2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FNO/c1-3-5-13-8-9-17(20)14(10-13)12-19(2)16-7-4-6-15(18)11-16/h4,6-7,11,13-14H,3,5,8-10,12H2,1-2H3
InChIKeyUMNSKPFOKKMYKX-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.05
Rot. Bonds5

About 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one

2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one (PubChem CID 63482830) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one
PubChem CID63482830
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FNO/c1-3-5-13-8-9-17(20)14(10-13)12-19(2)16-7-4-6-15(18)11-16/h4,6-7,11,13-14H,3,5,8-10,12H2,1-2H3
InChIKeyUMNSKPFOKKMYKX-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one (CID 63482830) is 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(C)c2cccc(F)c2)C1.
What is the InChIKey of 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The InChIKey is UMNSKPFOKKMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-5-13-8-9-17(20)14(10-13)12-19(2)16-7-4-6-15(18)11-16/h4,6-7,11,13-14H,3,5,8-10,12H2,1-2H3.
What are the key properties of 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one?
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one has a molecular weight of 277.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 63482830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).